libxc-2.1.2/ 0000775 0001750 0001750 00000000000 12471364016 007624 5 0000000 0000000 libxc-2.1.2/COPYING 0000664 0001750 0001750 00000016727 12471363260 010614 0000000 0000000 GNU LESSER GENERAL PUBLIC LICENSE
Version 3, 29 June 2007
Copyright (C) 2007 Free Software Foundation, Inc.
Everyone is permitted to copy and distribute verbatim copies
of this license document, but changing it is not allowed.
This version of the GNU Lesser General Public License incorporates
the terms and conditions of version 3 of the GNU General Public
License, supplemented by the additional permissions listed below.
0. Additional Definitions.
As used herein, "this License" refers to version 3 of the GNU Lesser
General Public License, and the "GNU GPL" refers to version 3 of the GNU
General Public License.
"The Library" refers to a covered work governed by this License,
other than an Application or a Combined Work as defined below.
An "Application" is any work that makes use of an interface provided
by the Library, but which is not otherwise based on the Library.
Defining a subclass of a class defined by the Library is deemed a mode
of using an interface provided by the Library.
A "Combined Work" is a work produced by combining or linking an
Application with the Library. The particular version of the Library
with which the Combined Work was made is also called the "Linked
Version".
The "Minimal Corresponding Source" for a Combined Work means the
Corresponding Source for the Combined Work, excluding any source code
for portions of the Combined Work that, considered in isolation, are
based on the Application, and not on the Linked Version.
The "Corresponding Application Code" for a Combined Work means the
object code and/or source code for the Application, including any data
and utility programs needed for reproducing the Combined Work from the
Application, but excluding the System Libraries of the Combined Work.
1. Exception to Section 3 of the GNU GPL.
You may convey a covered work under sections 3 and 4 of this License
without being bound by section 3 of the GNU GPL.
2. Conveying Modified Versions.
If you modify a copy of the Library, and, in your modifications, a
facility refers to a function or data to be supplied by an Application
that uses the facility (other than as an argument passed when the
facility is invoked), then you may convey a copy of the modified
version:
a) under this License, provided that you make a good faith effort to
ensure that, in the event an Application does not supply the
function or data, the facility still operates, and performs
whatever part of its purpose remains meaningful, or
b) under the GNU GPL, with none of the additional permissions of
this License applicable to that copy.
3. Object Code Incorporating Material from Library Header Files.
The object code form of an Application may incorporate material from
a header file that is part of the Library. You may convey such object
code under terms of your choice, provided that, if the incorporated
material is not limited to numerical parameters, data structure
layouts and accessors, or small macros, inline functions and templates
(ten or fewer lines in length), you do both of the following:
a) Give prominent notice with each copy of the object code that the
Library is used in it and that the Library and its use are
covered by this License.
b) Accompany the object code with a copy of the GNU GPL and this license
document.
4. Combined Works.
You may convey a Combined Work under terms of your choice that,
taken together, effectively do not restrict modification of the
portions of the Library contained in the Combined Work and reverse
engineering for debugging such modifications, if you also do each of
the following:
a) Give prominent notice with each copy of the Combined Work that
the Library is used in it and that the Library and its use are
covered by this License.
b) Accompany the Combined Work with a copy of the GNU GPL and this license
document.
c) For a Combined Work that displays copyright notices during
execution, include the copyright notice for the Library among
these notices, as well as a reference directing the user to the
copies of the GNU GPL and this license document.
d) Do one of the following:
0) Convey the Minimal Corresponding Source under the terms of this
License, and the Corresponding Application Code in a form
suitable for, and under terms that permit, the user to
recombine or relink the Application with a modified version of
the Linked Version to produce a modified Combined Work, in the
manner specified by section 6 of the GNU GPL for conveying
Corresponding Source.
1) Use a suitable shared library mechanism for linking with the
Library. A suitable mechanism is one that (a) uses at run time
a copy of the Library already present on the user's computer
system, and (b) will operate properly with a modified version
of the Library that is interface-compatible with the Linked
Version.
e) Provide Installation Information, but only if you would otherwise
be required to provide such information under section 6 of the
GNU GPL, and only to the extent that such information is
necessary to install and execute a modified version of the
Combined Work produced by recombining or relinking the
Application with a modified version of the Linked Version. (If
you use option 4d0, the Installation Information must accompany
the Minimal Corresponding Source and Corresponding Application
Code. If you use option 4d1, you must provide the Installation
Information in the manner specified by section 6 of the GNU GPL
for conveying Corresponding Source.)
5. Combined Libraries.
You may place library facilities that are a work based on the
Library side by side in a single library together with other library
facilities that are not Applications and are not covered by this
License, and convey such a combined library under terms of your
choice, if you do both of the following:
a) Accompany the combined library with a copy of the same work based
on the Library, uncombined with any other library facilities,
conveyed under the terms of this License.
b) Give prominent notice with the combined library that part of it
is a work based on the Library, and explaining where to find the
accompanying uncombined form of the same work.
6. Revised Versions of the GNU Lesser General Public License.
The Free Software Foundation may publish revised and/or new versions
of the GNU Lesser General Public License from time to time. Such new
versions will be similar in spirit to the present version, but may
differ in detail to address new problems or concerns.
Each version is given a distinguishing version number. If the
Library as you received it specifies that a certain numbered version
of the GNU Lesser General Public License "or any later version"
applies to it, you have the option of following the terms and
conditions either of that published version or of any later version
published by the Free Software Foundation. If the Library as you
received it does not specify a version number of the GNU Lesser
General Public License, you may choose any version of the GNU Lesser
General Public License ever published by the Free Software Foundation.
If the Library as you received it specifies that a proxy can decide
whether future versions of the GNU Lesser General Public License shall
apply, that proxy's public statement of acceptance of any version is
permanent authorization for you to choose that version for the
Library.
libxc-2.1.2/ChangeLog 0000664 0001750 0001750 00000675317 12471363256 011346 0000000 0000000 2015-02-19 13:29 micael
* [r12106] src/gga_k_ol2.c, src/work_lda.c: Backport of 12104 to
branches/2.1.x:
------------------------------------------------------------------------
r12104 | micael | 2015-02-19 14:24:34 +0100 (Thu, 19 Feb 2015) |
2 lines
Patch by X. Andrade to fix compilation with IBM C compiler.
------------------------------------------------------------------------
2015-02-09 07:21 lehtola
* [r12095] src/util.c: Backport of 12094 to branches/2.1.x:
------------------------------------------------------------------------
r12094 | lehtola | 2015-02-08 23:13:58 -0800 (Sun, 08 Feb 2015) |
1 line
Missing initialization for mix functionals.
------------------------------------------------------------------------
2015-01-05 09:30 micael
* [r12081] src/gga_x_lb.c: Backport of 12074 to branches/2.1.x:
------------------------------------------------------------------------
r12074 | marques | 2014-12-10 14:02:59 +0100 (Wed, 10 Dec 2014) |
5 lines
Spin unpolarized version of LB94 seems to be wrong. If this is
true, it is a 10 year old bug. And in the functional that has
been changed by the most people!
Can someone check this one?
------------------------------------------------------------------------
2015-01-05 09:18 micael
* [r12079] src/mgga_c_m08.c: Backport of 12069 to branches/2.1.x:
------------------------------------------------------------------------
r12069 | marques | 2014-12-08 10:04:18 +0100 (Mon, 08 Dec 2014) |
2 lines
Bug fix: LDA was being double counted. This affected the
correlations of M08_HX, M08_SO, M11, and M11_L.
------------------------------------------------------------------------
2015-01-05 08:53 micael
* [r12077] src/mgga_c_pkzb.c: Backport of 12068 to branches/2.1.x:
------------------------------------------------------------------------
r12068 | marques | 2014-12-03 12:50:14 +0100 (Wed, 03 Dec 2014) |
2 lines
Bug fix: revTPSS correlation was using the PBE while it should
have been using the vPBE
------------------------------------------------------------------------
2014-10-30 08:29 micael
* [r12065] NEWS, PACKAGING, configure.ac: Tagging versions 2.1.1
and 2.2.1.
2014-10-30 08:02 micael
* [r12064] ChangeLog: Updating ChangeLog.
2014-10-28 22:17 lehtola
* [r12060] src/hyb_gga_xc_cam_b3lyp.c: Backport of 12030 to
branches/2.1.x:
------------------------------------------------------------------------
r12030 | lehtola | 2014-09-24 22:08:53 -0700 (Wed, 24 Sep 2014) |
1 line
CAM-B3LYP and its tuned variant finally work.
------------------------------------------------------------------------
2014-10-28 22:17 lehtola
* [r12059] src/mgga_x_m08.c: Backport of 12029 to branches/2.1.x:
------------------------------------------------------------------------
r12029 | lehtola | 2014-09-24 17:08:11 -0700 (Wed, 24 Sep 2014) |
1 line
M11 is a hybrid functional.
------------------------------------------------------------------------
2014-10-28 22:16 lehtola
* [r12058] src/gga_x_sogga11.c: Backport of 12033 to
branches/2.1.x:
------------------------------------------------------------------------
r12033 | lehtola | 2014-09-25 13:31:30 -0700 (Thu, 25 Sep 2014) |
1 line
Fix the SOGGA11-X functional.
------------------------------------------------------------------------
2014-10-28 22:16 lehtola
* [r12057] src/mgga.c: Backport of 12037 to branches/2.1.x:
------------------------------------------------------------------------
r12037 | lehtola | 2014-09-26 11:47:13 -0700 (Fri, 26 Sep 2014) |
1 line
Need to initialize hybrid parameters in mgga routine.
------------------------------------------------------------------------
2014-10-28 12:50 micael
* [r12051] src/Makefile.am: Backport of 12050 to branches/2.1.x:
------------------------------------------------------------------------
r12050 | micael | 2014-10-28 13:43:42 +0100 (Tue, 28 Oct 2014) |
2 lines
Removing src/libxc.f90 and src/libxc_funcs.f90 from the
distribution, as these files are generated automatically at build
time.
------------------------------------------------------------------------
2014-10-27 16:21 dstrubbe
* [r12048] src/Makefile.am: Backport of 12004 to branches/2.1.x:
------------------------------------------------------------------------
r12004 | marques | 2014-07-07 04:03:54 -0400 (Mon, 07 Jul 2014) |
2 lines
This should solve the compilation problems of Benjamin Alldritt.
I don't understand why -lm was included through LDFLAGS...
------------------------------------------------------------------------
2014-04-01 18:42 dstrubbe
* [r11965] src/util.h: Backport of 11961 to branches/2.1.x:
------------------------------------------------------------------------
r11961 | dstrubbe | 2014-03-30 22:40:26 -0400 (Sun, 30 Mar 2014)
| 2 lines
This change allows xc-info to link with the clang compiler.
------------------------------------------------------------------------
2014-04-01 14:26 micael
* [r11964] .: * Renamed directories to reflect the fact that libxc
has now its own repository.
2014-03-30 20:10 dstrubbe
* [r11958] src/Makefile.am: Fixing dependencies for libxc-2.1.x:
* Backporting r11918 (which reverts r11897 among other things),
enabling parallel builds for single-precision.
* Restoring LTPREF definition (removed in r11890 which undid
libxc90 separation) and adapting it to variables and their
contents when we don't have libxc90; these things were introduced
r10979 and r10982.
2014-03-30 18:54 dstrubbe
* [r11956] src/Makefile.am: Backport of 11899 to
branches/libxc-2.1.x:
------------------------------------------------------------------------
r11899 | lehtola | 2014-03-20 06:20:01 -0400 (Thu, 20 Mar 2014) |
1 line
xc-info should first be linked to -lxc and then to -lm.
------------------------------------------------------------------------
2014-03-21 11:19 micael
* [r11913] configure.ac: * Forgot to commit a couple of changes
related to the 2.1.0 release in the 2.1.x branch.
2014-03-21 11:12 micael
* [r11912] ChangeLog, NEWS, PACKAGING: * Tagging Libxc version
2.1.0.
2014-03-21 10:31 micael
* [r11911] Makefile.am: * Removed the automatic Libxc Changelog
update when creating the tarball.
2014-03-21 09:40 micael
* [r11910] testsuite/Makefile.am: * The contents of the
testsuite/inputs directory was missing from the distribution.
2014-03-21 09:12 micael
* [r11909] AUTHORS: * Updated Libxc AUTHORS file.
2014-03-20 13:03 micael
* [r11903] src/Makefile.am, src/integrate.c, src/libxc_master.F90,
src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c, src/xc_s.h: Backport
of 11896 to branches/libxc-2.1.x:
------------------------------------------------------------------------
r11896 | lehtola | 2014-03-20 10:52:45 +0100 (Thu, 20 Mar 2014) |
1 line
Fix single precision preprocessor directives. #if clauses
shouldn't be used as the macro is not defined in double precision
mode.
------------------------------------------------------------------------
2014-03-20 10:09 lehtola
* [r11898] src/Makefile.am: This should fix the SMP build error.
2014-03-18 17:51 lehtola
* [r11894] src/Makefile.am: Undo previous two commits, need to
figure out another way to do this.
2014-03-18 17:45 lehtola
* [r11893] src/Makefile.am: Fix typo in previous commit.
2014-03-18 17:43 lehtola
* [r11892] src/Makefile.am: Building library also needs modules
having been built.
2014-03-18 17:16 micael
* [r11891] ., ChangeLog, INSTALL, configure.ac, src/Makefile.am: *
Created libxc-2.1.x branch.
* Merged the f90 interface library back into libxc in the new
branch.
2014-03-11 19:56 lehtola
* [r11867] testsuite/xc-regression.c: Fix icc warning caused by
freeing uninitialized variable.
2014-03-11 19:32 dstrubbe
* [r11866] src, testsuite: svn:ignore properties for new libxc
executables.
2014-03-04 08:52 lehtola
* [r11860] src/gga_x_wpbeh.c, src/xc_config.h, src/xc_unconfig.h:
Macroize call to erfc in gga_x_wpbeh.
2014-03-01 13:22 lehtola
* [r11850] testsuite/xc-regression.c: Use similar output precision
to numerical precision in xc-regression.
2014-03-01 11:47 lehtola
* [r11849] testsuite/regression/lda_x.pol.bz2,
testsuite/regression/lda_x.unpol.bz2: Add lda reference files to
avoid compile errors.
2014-03-01 10:46 lehtola
* [r11848] testsuite/Makefile.am, testsuite/input,
testsuite/input/BrOH, testsuite/input/BrOH+, testsuite/input/H,
testsuite/input/Li, testsuite/input/README, testsuite/xc-error.c,
testsuite/xc-regression.c, testsuite/xc-reset-regression,
testsuite/xc-run_testsuite: Rewritten test routines. Still need
updated reference data. Reasonable tolerances should be also
determined.
2014-03-01 10:44 lehtola
* [r11847] TODO: Add MCY functionals to TODO.
2014-02-28 23:32 lehtola
* [r11846] src/expint_e1.c: Use double precision if necessary in
expint_e1.
2014-02-28 23:20 lehtola
* [r11845] src/xc_config.h: Fix bug in xc_config.h
2014-02-27 13:35 lehtola
* [r11839] src/gga_x_b86_mgc.c, src/gga_x_pbe.c: Remove one unused
variable and fix initialization of PBEmol exchange.
2014-02-27 08:47 lehtola
* [r11838] src/util.h: Forgot to modify function declarations for
Bessel functions.
2014-02-27 08:25 lehtola
* [r11837] src/bessel.c, src/mgga_x_br89.c: Changed some fabs() to
ABS().
2014-02-27 07:27 lehtola
* [r11836] testsuite/xc-get_data.c: Added missing argument to
fprintf.
2014-02-26 20:50 lehtola
* [r11835] src/Makefile.am: Simplify Makefile by pulling out common
declaration per David Strubbe's proposal.
2014-02-26 20:36 lehtola
* [r11833] src/Makefile.am: If single precision enabled, double
precision modules still need to be installed.
2014-02-26 20:26 lehtola
* [r11832] src/integrate.c, src/lda_x_1d.c, src/test.c, src/util.h:
Last fixes to --enable-single.
2014-02-26 20:19 lehtola
* [r11831] src/bessel.c, src/expint_e1.c, src/gga_x_ityh.c,
src/gga_x_sfat.c, src/lda_x_1d.c, src/mgga_x_2d_prhg07.c,
src/test.c, src/util.c, src/util.h: More fixes to
--enable-single.
2014-02-26 19:47 lehtola
* [r11830] src/gga_c_ft97.c, src/hyb_mgga_xc_tpssh.c: Reduce scope
of some internal functions to fix --enable-single.
2014-02-26 19:13 lehtola
* [r11829] src/gga_x_am05.c, src/special_functions.c, src/util.h:
Multiple precisions of Lambert W function.
2014-02-26 17:28 lehtola
* [r11828] src/Makefile.am: Rewrite xc-info and libxcf90
dependencies.
2014-02-26 16:21 lehtola
* [r11827] testsuite/xc-get_data.c: Add support for hybrid mgga
functionals in xc-get_data.
2014-02-26 16:19 lehtola
* [r11826] src/Makefile.am, src/xc-info.c: Added xc-info tool.
2014-02-26 16:15 lehtola
* [r11825] src/Makefile.am: Fix SMP build.
2014-02-24 15:15 micael
* [r11818] src/mgga_x_2d_prhg07.c: Another patch from Susi Lehtola:
mgga_x_2d_prhg07.c uses long double arithmetic, so one should use
long double functions.
2014-02-24 15:13 micael
* [r11817] src/gga_c_lm.c, src/gga_c_lyp.c, src/gga_c_p86.c,
src/gga_c_pbe.c, src/gga_c_pw91.c, src/gga_c_sogga11.c,
src/gga_c_tca.c, src/gga_c_wi.c, src/gga_x_2d_b88.c,
src/gga_x_b88.c, src/gga_x_bpccac.c, src/gga_x_c09x.c,
src/gga_x_ft97.c, src/gga_x_lb.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_sogga11.c, src/gga_x_wc.c,
src/gga_x_wpbeh.c, src/lda_c_2d_amgb.c, src/lda_c_gombas.c,
src/lda_c_hl.c, src/lda_c_ml1.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_rc04.c, src/lda_c_rpa.c, src/lda_c_vwn.c, src/lda_x.c,
src/lda_x_1d.c, src/mgga_c_cs.c, src/mgga_x_br89.c,
src/xc_config.h, src/xc_unconfig.h: Patch from Susi Lehtola to
use correct version of several functions when SINGLE_PRECISION is
in use.
2014-02-19 16:14 marques
* [r11815] src/Makefile.am, src/gga_c_ft97.c, src/gga_c_q2d.c,
src/lda_c_2d_amgb.c, src/mgga_xc_otpss_d.c, src/test.c,
src/util.h, src/work_gga_c.c, src/work_lda.c, src/work_mgga_x.c:
Added the correlation part of the gga q2d. I have some doubts
about this as there is at least one clear mistake in the paper
started adding terms for kxc in the ggas. Still most of the terms
are missing.
2014-02-19 10:13 marques
* [r11814] src/gga_x_hjs.c, src/gga_x_wpbeh.c, src/mgga_c_pkzb.c,
src/util.h: Fixed a couple of unitialized variables found by
Jussi Lehtola
2014-02-18 13:13 micael
* [r11813] NEWS, PACKAGING, configure.ac: * Tagging Libxc version
2.0.3.
2014-02-18 12:15 marques
* [r11812] src/Makefile.am, src/gga_x_q2d.c: Added functional
gga_x_q2d
2014-02-17 13:17 marques
* [r11808] src/work_mgga_c.c: Solves the bug that Susi Lehtola
reported for the c_tpss.
2014-02-17 10:52 marques
* [r11807] src/hyb_mgga_xc_tpssh.c, src/mgga_c_pkzb.c: Small
correction of reference
Now mgga_xc_revtpssh_init used revtpss correlation
2014-02-17 10:19 marques
* [r11806] src/Makefile.am, src/hyb_mgga_xc_tpssh.c: Patch from
Susi Lehtola that implements XC_HYB_MGGA_XC_REVTPSSH and
XC_HYB_MGGA_XC_TPSSH.
2014-02-05 00:45 dstrubbe
* [r11746] src/libxc_master.F90: The libxc fortran interface did
not provide the constant XC_FAMILY_HYB_MGGA.
2014-01-31 08:18 marques
* [r11695] src/gga_x_lg93.c: Bug fix: variable was not given a
value. It sj=hould be zero, so I guess that most compilers were
actually giving the right number... Thanks David ;)
2013-12-17 14:42 marques
* [r11593] src/gga_x_pbe.c: Added the functional GGA_X_PBE_MOL.
Patch by Susi Lehtola.
2013-12-10 08:35 marques
* [r11569] src/gga_x_b86.c, src/mgga_x_br89.c: Bug found by Søren
Smidstrup corrected (abs -> ABS)
2013-11-22 12:06 marques
* [r11543] src/hyb_gga_xc_pbeh.c: Added variant of PBE0 with
mixing=1/3
2013-11-09 04:25 xavier
* [r11500] testsuite/xc-get_data.c: Converted a C++ style comment
into a C style one.
2013-11-07 13:06 marques
* [r11485] src/gga_c_wi.c, src/test.c, src/util.h,
src/work_gga_c.c: First attempt at Kxc for the GGA correlations.
For now, the WI functional is working. This is however a very
simple functional with most of the dependencies missing. A lot of
work is still left...
2013-11-05 15:15 marques
* [r11473] src/gga_x_am05.c: Bug fix. David, can you check if the
test is passed now?
2013-10-30 15:20 marques
* [r11434] src/gga_x_ssb_sw.c, src/gga_x_vmt.c, src/util.c,
src/util.h: SSB_SW and VMT also have Kxc. I finished all exchange
GGA for which Kxc was relatively simple to calculate.
2013-10-30 14:41 marques
* [r11433] src/gga_x_mpbe.c, src/gga_x_optx.c, src/gga_x_sogga11.c,
src/util.c, src/util.h: Kxc for optx, mpbe, sogga11 and variants
2013-10-30 13:32 marques
* [r11432] src/gga_x_dk87.c, src/gga_x_lv_rpw86.c, src/util.c,
src/util.h: Added Kxc to lv_rpw86
added missing flags to dk87 (thanks Micael)
2013-10-30 12:58 marques
* [r11431] src/gga_x_herman.c, src/gga_x_lg93.c, src/util.c,
src/util.h: Added Kxc for hermand and lg93
2013-10-30 12:30 marques
* [r11430] src/gga_x_dk87.c, src/util.c, src/util.h: Kxc for
DK87_R1 and DK87_R2
2013-10-30 12:17 marques
* [r11429] src/gga_x_am05.c, src/gga_x_wc.c, src/util.c,
src/util.h: Added Kxc to X_AM05
2013-10-22 11:33 marques
* [r11379] src/mgga_x_ms.c: Updated reference
2013-10-18 08:14 marques
* [r11361] src/gga_x_b86_mgc.c, src/gga_x_bpccac.c,
src/gga_x_c09x.c, src/gga_x_htbs.c, src/gga_x_wc.c, src/test.c,
src/util.c, src/util.h: KXC for C08x plus a series of bug
corrections.
2013-10-18 07:33 marques
* [r11360] src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_bayesian.c, src/gga_x_bpccac.c, src/test.c, src/util.c,
src/util.h: Added Kxc to B86, B86_MGC, BAYESIAN, and BPCCAC.
2013-10-17 11:06 marques
* [r11352] src/work_gga_x.c: Bug fix: had some lines misplaced, so
Fxc and Kxc were badly calculated if (and only if) Vxc was not
calculated.
2013-10-17 09:55 marques
* [r11351] src/gga.c, src/gga_x_ak13.c, src/test.c, src/util.h,
src/work_gga_x.c: Added Kxc to AK13
2013-10-17 07:28 marques
* [r11350] src/gga_x_airy.c, src/test.c, src/util.c, src/util.h:
Added Kxc to GGA_X_AIRY
2013-10-16 14:45 marques
* [r11343] src/work_gga_x.c: Bug fixed: a factor of 4 too much in
the calculation of Fxc
2013-10-11 12:39 marques
* [r11323] src/gga_x_g96.c, src/gga_x_htbs.c, src/gga_x_pw86.c,
src/gga_x_pw91.c, src/gga_x_rpbe.c: Added KXC for X_G96, X_RPBE,
X_HTBS, X_PW86, and X_PW91
2013-10-11 11:30 marques
* [r11322] src/gga_x_wc.c: Added Kxc to X_WC
2013-10-11 11:20 marques
* [r11321] src/gga_x_pbe.c: Added Kxc to exchange PBE-like
functionals
2013-10-11 10:01 marques
* [r11319] src/gga_x_b88.c: Kxc for B88-like functionals
2013-10-11 09:45 marques
* [r11318] src/gga_x_lb.c: Sorry, made an error in the prvious
commit
2013-10-11 09:44 marques
* [r11317] src/gga_x_lb.c: This should fix the problem of David.
2013-10-11 09:42 marques
* [r11316] src/gga.c, src/gga_x_b86.c, src/test.c, src/util.c,
src/util.h, src/work_gga_x.c: We can now calculate third
derivatives for the exhange GGAs. For now only B86 works. Note
that most tests are failing at the moment.
2013-10-10 12:03 marques
* [r11309] TODO, src/gga.c, src/gga_c_op.c, src/gga_k_dk.c,
src/gga_k_meyer.c, src/gga_k_ol1.c, src/gga_k_ol2.c,
src/gga_k_pearson.c, src/gga_k_tflw.c, src/gga_x_2d_b86.c,
src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c,
src/gga_x_airy.c, src/gga_x_ak13.c, src/gga_x_am05.c,
src/gga_x_b86.c, src/gga_x_b86_mgc.c, src/gga_x_b88.c,
src/gga_x_bayesian.c, src/gga_x_bpccac.c, src/gga_x_c09x.c,
src/gga_x_dk87.c, src/gga_x_g96.c, src/gga_x_herman.c,
src/gga_x_htbs.c, src/gga_x_ityh.c, src/gga_x_lg93.c,
src/gga_x_lv_rpw86.c, src/gga_x_mpbe.c, src/gga_x_optx.c,
src/gga_x_pbe.c, src/gga_x_pbea.c, src/gga_x_pw86.c,
src/gga_x_pw91.c, src/gga_x_rpbe.c, src/gga_x_sfat.c,
src/gga_x_sogga11.c, src/gga_x_ssb_sw.c, src/gga_x_vmt.c,
src/gga_x_wc.c, src/libxc_master.F90, src/mgga_x_m05.c,
src/mgga_x_m06l.c, src/mgga_x_m08.c, src/mix_func.c, src/test.c,
src/util.h, src/work_gga_c.c, src/work_gga_x.c, src/xc.h,
src/xc_f.c, testsuite/xc-get_data.c, testsuite/xc-regression.c:
Started implementing Kxc for the GGAs
2013-10-10 11:36 micael
* [r11308] src/gga_k_tflw.c: Added XC_GGA_K_TFVW.
2013-10-10 11:15 micael
* [r11307] testsuite/atomic_densities,
testsuite/atomic_densities/H, testsuite/atomic_densities/Li: *
Added atomic densities and corresponding derivatives for H and Li
atoms.
2013-10-09 13:10 marques
* [r11305] src/gga_x_pbe.c: Added K_APBEINT and K_REVAPBEINT
2013-10-09 12:32 marques
* [r11304] src/gga_x_pbe.c: Added revAPBE for the kinetic energy
2013-10-04 07:10 marques
* [r11291] src/libxc_master.F90, src/xc_f.c: Changed function into
subroutine. Apparently, there is no way to keep all compilers
happy when interfacing functions between C and Fortran!
2013-09-30 19:09 marques
* [r11285] src/libxc_master.F90: Sorry, there was one line I forgot
to delete
2013-09-30 18:54 marques
* [r11284] src/libxc_master.F90: Let's see if it now compiles in
chum
2013-09-23 09:36 micael
* [r11281] src/libxc_master.F90, src/xc_f.c: * The C part of the
Fortran interface for the gga_ak13_get_asymptotic function was
missing.
* Made the Fortran name of the gga_ak13_get_asymptotic consistent
with the C name.
2013-09-23 08:19 micael
* [r11280] src/libxc_master.F90: * XC_GGA_K_ABSR1 and
XC_GGA_K_ABSR2 should also be included in the Fortran interface.
2013-09-20 11:49 marques
* [r11276] src/xc.h: Little think I forgot to save before
committing...
2013-09-20 11:26 marques
* [r11275] src/Makefile.am, src/gga_x_ak13.c, src/libxc_master.F90,
src/xc.h: Added exchange functional of Armiento and Kummel that
is becoming so popular
2013-09-19 15:06 marques
* [r11271] src/gga_x_ityh.c, src/gga_x_sfat.c, src/lda_x.c,
src/mgga_x_m08.c, src/util.c, src/util.h: A little cleaning:
*) now the names of the attenuation interactions are defined
*) little routine that returns the enhancement factors avoiding
duplicated code
2013-09-19 14:13 marques
* [r11270] src/Makefile.am, src/gga_x_sfat.c,
src/hyb_gga_xc_camy_blyp.c, src/lda_x.c, src/xc.h: Submitted
patch by Rolf Wuerdemann implementing CAMY_BLYP
2013-09-16 12:34 marques
* [r11262] src/gga_k_meyer.c, src/gga_k_tflw.c, src/xc.h: Changed
name of functional from gga_k_absr(1,2) to gga_k_absp(1,2)
Had forgotten factor of 8 in gga_k_meyer
2013-09-16 12:29 marques
* [r11261] src/Makefile.am, src/gga_k_meyer.c: Added another GGA
kinetic energy
2013-09-16 10:31 micael
* [r11260] src/gga_k_tflw.c: * A reference was slightly wrong.
2013-09-13 08:56 marques
* [r11252] src/hyb_gga_xc_pbeh.c: Added another reference to PBE0
2013-09-09 14:53 marques
* [r11249] src/gga_x_n12.c: N12_SX is a hybrid GGA, not a GGA
2013-09-09 14:05 marques
* [r11248] TODO: Another functional for the TODO list
2013-09-09 09:32 marques
* [r11247] src/Makefile.am, src/gga_x_ityh.c, src/gga_x_lv_rpw86.c,
src/gga_x_pw86.c, src/util.h: Added functional gga_x_lv_rpw86
2013-09-04 16:39 micael
* [r11236] TODO: Yet another set of missing functionals from libxc.
2013-09-04 09:59 marques
* [r11235] src/gga_x_pbe.c: Sorry, a 0 in the wrong place... don't
know how it got there ;)
2013-09-04 09:49 marques
* [r11234] src/gga_x_pbe.c: Corrected bug in PBEint
2013-08-28 09:24 micael
* [r11177] TODO: Added another missing functional to the TODO list.
2013-08-22 08:52 micael
* [r11157] TODO: * Added more missing functionals to the TODO file.
2013-08-21 16:25 micael
* [r11156] TODO: * Removed references to already implemented
functionals.
* Added several missing functionals.
2013-08-21 10:24 marques
* [r11155] TODO: Forgot to merge TODo
2013-08-21 09:57 marques
* [r11154] src/gga_x_bpccac.c, src/gga_x_pbe.c: Buf fixed: bpccac
functional should use a different version of revPBE. People
should be more original with the names of the functionals!!!
Added another revise dversion of PBE, that I called PBE_TCA
2013-08-20 14:36 marques
* [r11152] src/gga_x_sogga11.c: Wrong citation
2013-08-12 13:06 marques
* [r11106] src/gga_x_pbea.c: Bug fix: the value of alpha of
PBEalpha seems to be 0.52 and not 0.5. Strangely enough the
original routine (with alpha=0.5) had been sent to be by G.
Madsen, the author of the functional.
2013-08-05 15:09 xavier
* [r11067] src/Makefile.am, src/util.h, src/xc.h, src/xc_f.c,
src/xc_unconfig.h, testsuite/xc-get_data.c: Bugfix: xc.h was
defining FLOAT and other undocumented macros that
could case name clashes with user code. Now these macros are not
declared. Internal libxc code that uses them needs to include
"xc_config.h" explicitly.
2013-08-05 15:04 marques
* [r11066] src/gga_x_pbe.c: Added x_pbeint
2013-08-05 14:51 marques
* [r11065] src/gga_c_pbe.c: Added c_PBEint, c_zPBEsol, c_zPBEint
2013-07-16 16:59 micael
* [r11012] src/xc_f.c: * Improved the functional_get_name Fortran
interface.
2013-07-16 16:56 micael
* [r11011] src/lda_xc_teter93.c: Bug fix: some variable were used
before being set when calculating the second and third
derivatives with spin-polarization.
2013-07-11 18:39 dstrubbe
* [r10983] src/Makefile.am: I broke libxc compilation on chum
(older automake/libtool versions) with r10979, by explicitly
referring to the objects produced by libtool. Unfortunately,
their names are not always the same. Surprisingly,
libtool/automake do not seem to provide a macro or variable for
what the object names will be, so we have to extract it
ourselves. LTPREF=libxcf90_la-, or blank for older
libtool/automake versions.
Produces these warnings on some systems. Does not seem to matter.
src/Makefile.am:140: subst xc_f.lo,,$(firstword
$(am_libxcf90_la_OBJECTS: non-POSIX variable name
src/Makefile.am:140: (probably a GNU make extension)
2013-07-11 16:42 dstrubbe
* [r10980] src/Makefile.am: libxc has had occasional trouble with a
parallel build (make -j). I have tried to fix this before, but
with only partial success. I think this might be real solution.
Dependencies are in terms of the funny objects libtool makes, not
the normal .o files. Dependencies are declared on module files,
and the module files (while not having actual rules) are declared
dependent on the .lo files that will created in the same
compilation that produces the modules. It is necessary to declare
dependencies for both .lo and .o because 'make' and 'make
install' don't both necessary work with the same ones.
2013-07-11 15:28 micael
* [r10979] Makefile.am, build/Makefile.am, configure.ac,
m4/fc_integer.m4, m4/fcflags.m4, m4/fortran.m4, src/Makefile.am,
src/libxc_master.F90, src/string_f.h, testsuite/Makefile.am:
Corrected the FSF address in the copyright.
2013-07-11 13:19 micael
* [r10976] src/gga_x_kt.c, src/gga_x_ssb_sw.c, src/gga_x_vmt.c,
src/lda_c_2d_prm.c, src/mgga_c_pkzb.c, src/mgga_x_pkzb.c: *
Removed unused variables in libxc.
2013-07-11 12:50 micael
* [r10974] src/gga_c_am05.c, src/gga_c_ft97.c, src/gga_c_lm.c,
src/gga_c_lyp.c, src/gga_c_op.c, src/gga_c_optc.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c,
src/gga_c_sogga11.c, src/gga_c_tca.c, src/gga_c_wi.c,
src/gga_c_wl.c, src/gga_k_dk.c, src/gga_k_ol1.c, src/gga_k_ol2.c,
src/gga_k_pearson.c, src/gga_k_tflw.c, src/gga_x_2d_b86.c,
src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c,
src/gga_x_airy.c, src/gga_x_am05.c, src/gga_x_b86.c,
src/gga_x_b86_mgc.c, src/gga_x_b88.c, src/gga_x_bayesian.c,
src/gga_x_bpccac.c, src/gga_x_c09x.c, src/gga_x_dk87.c,
src/gga_x_ft97.c, src/gga_x_g96.c, src/gga_x_herman.c,
src/gga_x_hjs.c, src/gga_x_htbs.c, src/gga_x_ityh.c,
src/gga_x_kt.c, src/gga_x_lb.c, src/gga_x_lg93.c,
src/gga_x_mpbe.c, src/gga_x_n12.c, src/gga_x_optx.c,
src/gga_x_pbe.c, src/gga_x_pbea.c, src/gga_x_pw86.c,
src/gga_x_pw91.c, src/gga_x_rpbe.c, src/gga_x_sogga11.c,
src/gga_x_ssb_sw.c, src/gga_x_vmt.c, src/gga_x_wc.c,
src/gga_x_wpbeh.c, src/gga_xc_1w.c, src/gga_xc_b97.c,
src/gga_xc_edf1.c, src/gga_xc_oblyp_d.c, src/gga_xc_th.c,
src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_cam_b3lyp.c,
src/hyb_gga_xc_hse.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c, src/hyb_mgga_xc_m05.c, src/lda_c_1d_csc.c,
src/lda_c_1d_loos.c, src/lda_c_2d_amgb.c, src/lda_c_2d_prm.c,
src/lda_c_gombas.c, src/lda_c_hl.c, src/lda_c_ml1.c,
src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rc04.c,
src/lda_c_rpa.c, src/lda_c_vwn.c, src/lda_c_wigner.c,
src/lda_k_tf.c, src/lda_x.c, src/lda_x_1d.c, src/lda_x_2d.c,
src/lda_xc_teter93.c, src/mgga_xc_otpss_d.c: * Fixed warnings
about missing field initializers.
2013-07-10 07:59 micael
* [r10958] NEWS, PACKAGING, configure.ac: * Tagging version 2.0.2
* Updated ChangeLog, NEWS, etc.
2013-07-01 13:20 marques
* [r10930] src/util.c: Making sure we never divide by zero.
Reported by Vittorio Zecca and David.
2013-07-01 13:15 marques
* [r10929] src/gga_x_c09x.c, testsuite/xc-consistency.c: *)
Corrected vug in c09x as reported by Lampros Andrinopoulos
*) Corrected bug in xc-consistency
2013-06-26 16:46 askhl
* [r10912] src/lda_c_2d_amgb.c: spelling
2013-06-18 15:05 marques
* [r10869] src/hyb_gga_xc_b3lyp.c: Added a revised B3LYP
functional.
2013-06-17 15:05 dstrubbe
* [r10861] configure.ac, m4/fortran.m4: Updating libxc build system
from octopus changes:
* Replaced obsolete AC_TRY_LINK_FUNC with AC_LINK_IFELSE.
* Removed AC_LANG_PREPROC(Fortran) and imported new ACX_FCCPP and
its dependency ACX_GREP_FCCPP.
Now libxc will make sure that a proper preprocessor for Fortran
is available.
2013-06-17 05:05 dstrubbe
* [r10860] m4/acx.m4, m4/fortran.m4: Renaming libxc m4 macro in
accordance with name change in octopus since it was copied in.
This is in preparation for merging recent changes in octopus file
to libxc.
2013-06-13 13:46 marques
* [r10848] src/xc.h: Sorry, small mistake in definition.
2013-06-13 12:51 marques
* [r10847] src/Makefile.am, src/gga_c_pbe.c, src/gga_xc_oblyp_d.c,
src/mgga_c_pkzb.c, src/mgga_x_tpss.c, src/mgga_xc_otpss_d.c,
src/xc.h: Added a few functionals:
*) mgga_x_modtpss : tpss with optimized coefficients
*) gga_x_oblyp_d, opwlyp_d, opbe_d, tpss_d : reoptimizations by
Grimme to include dispersion terms.
2013-05-28 14:42 marques
* [r10736] src/Makefile.am: Next attempt at compiling in chum. But
can someone update the buggy libtool of this machine?
2013-05-28 14:35 marques
* [r10735] src/Makefile.am: Following's Xavier suggestion, I
changed the name of the library to libxcf90
2013-05-28 14:29 marques
* [r10734] src/Makefile.am: I really hate libtools
2013-05-28 14:18 marques
* [r10733] src/Makefile.am: Let's see if this fixes compilation
with some slaves
2013-05-28 13:18 marques
* [r10731] src/Makefile.am: Following Yann's suggestion, I
separated libxc in two libraries, one containing the actual
library (libxc) and another the Fortran bindings (libxcf).
2013-05-28 13:11 marques
* [r10730] src/libxc_master.F90, src/xc_f.c: Patch by Yann
Pouillon:
Please find attached a patch for LibXC 2.0.1 adding the following
Fortran
wrappers:
* subroutine xc_f90_functional_get_name(id, name)
* integer function xc_f90_functional_get_number(name)
that have been requested many times for various projects. In
particular, it
solves the issue of getting a functional number from the
corresponding
description string, avoiding many potential typos in input files
of Fortran
codes.
2013-05-27 09:58 micael
* [r10725] src/gga_x_lb.c: Reverting #10345 and #10396.
2013-05-17 14:27 dstrubbe
* [r10627] src/lda_c_pw.c, src/mgga_x_tpss.c: Typos in libxc.
2013-05-17 12:48 marques
* [r10626] src/gga_x_vmt.c: Added two version of VMT{8,4}
2013-05-17 11:40 marques
* [r10625] src/Makefile.am, src/gga_x_vmt.c: Added functional
gga_x_vmt
2013-05-17 09:33 marques
* [r10622] src/mgga_x_tpss.c: Added BLOC meta-GGA
2013-05-13 07:31 marques
* [r10586] src/lda_x.c: Bug found by Toon Verstraelen fixed.
2013-04-29 16:59 dstrubbe
* [r10469] src/Makefile.am: libxc: Fixing dependency that was
poorly written (by me) and could cause "make -j install" to fail.
2013-04-22 15:16 umberto
* [r10397] src/gga_x_lb.c: Profiled minimum density values for lb94
functional.
The value previously set to 5e-13 is now 1e-14.
I haven''t checked against an extensive test set so the threshold
value may not be definitive.
2013-04-16 10:41 umberto
* [r10346] src/gga_x_lb.c: Fixes LB94 NaN in TD runs with adsorbing
boundaries.
2013-03-26 09:29 marques
* [r10290] src/gga_c_op.c: Small typo found by Xavier Gonze
2013-02-12 13:20 marques
* [r9961] src/Makefile.am, src/mgga_c_cc06.c, src/mgga_c_cs.c,
testsuite/regression/mgga_c_cc06.data.bz2,
testsuite/regression/mgga_c_cs.data.bz2: I had forgotten the
Colle and Salvetti functional. It is added now ;)
2013-02-07 08:45 marques
* [r9941] src/Makefile.am, src/mgga_x_mk00.c, src/work_mgga_x.c,
testsuite/regression/mgga_x_br89.data.bz2,
testsuite/regression/mgga_x_mk00.data.bz2,
testsuite/regression/mgga_x_mk00b.data.bz2: Added the functionals
MGGA_X_MK00 and MGGA_X_MK00B. Now we have all functionals of
molpro.
Corrected bug in the evaluation of fxc for the metaggas that
depend both in tau and nabla^2 n (only br89 up to now, actually).
2013-02-06 14:25 marques
* [r9939] TODO, src/Makefile.am, src/mgga_c_cc06.c,
testsuite/regression/mgga_c_cc06.data.bz2: Added functional
mgga_c_cc06
2013-02-05 15:53 marques
* [r9936] src/mgga_x_m08.c,
testsuite/regression/hyb_mgga_x_m11.data.bz2,
testsuite/regression/mgga_x_m08_hx.data.bz2,
testsuite/regression/mgga_x_m08_so.data.bz2,
testsuite/regression/mgga_x_m11_l.data.bz2: Added the functionals
hyb_mgga_x_m11 and mgga_x_m11_l. I guess that most of the
functionals of Truhlar are now in.
2013-02-05 13:34 marques
* [r9935] src/Makefile.am, src/mgga_c_m08.c,
testsuite/regression/mgga_c_m08_hx.data.bz2,
testsuite/regression/mgga_c_m08_so.data.bz2,
testsuite/regression/mgga_c_m11.data.bz2,
testsuite/regression/mgga_c_m11_l.data.bz2,
testsuite/regression/mgga_c_mn12_l.data.bz2,
testsuite/regression/mgga_c_mn12_sx.data.bz2: Added functionals
MGGA_C_M08_HX, MGGA_C_M08_SO, MGGA_C_M11, MGGA_C_M11_L,
MGGA_C_MN12_L, and MGGA_C_MN12_SX
2013-02-05 11:46 marques
* [r9934] src/gga_x_n12.c, src/gga_xc_b97.c, src/mgga_x_mn12.c,
testsuite/regression/gga_c_n12.data.bz2,
testsuite/regression/gga_c_n12_sx.data.bz2,
testsuite/regression/gga_x_n12.data.bz2,
testsuite/regression/gga_x_n12_sx.data.bz2,
testsuite/regression/mgga_x_mn12_l.data.bz2,
testsuite/regression/mgga_x_mn12_sx.data.bz2: Added GGA_C_N12 and
GGA_C_N12_SX.
Corrected the spelling of Minnesota.
2013-02-05 09:31 marques
* [r9933] src/Makefile.am, src/gga_x_n12.c,
testsuite/regression/gga_x_n12.data.bz2,
testsuite/regression/gga_x_n12_sx.data.bz2: Added the functionals
GGA_X_N12 and GGA_X_N12_SX. Note that the library "Minnesota
Functional Module" seems to have a bug: F1 is initialized, so
Pi=acos(-F1) gets the value of Pi/2 ;(((
2013-02-04 13:47 marques
* [r9932] src/hyb_gga_xc_b1wc.c,
testsuite/regression/hyb_gga_xc_mpwlyp1m.data.bz2: Added
hyb_gga_xc_mpwlyp1m
2013-02-04 13:17 marques
* [r9931] src/gga_xc_1w.c, src/hyb_mgga_xc_m05.c,
testsuite/regression/mgga_xc_tpsslyp1w.data.bz2: Added
mgga_xc_tpsslyp1w
2013-02-04 12:34 marques
* [r9930] src/gga_x_pw91.c, src/hyb_mgga_xc_m05.c,
testsuite/regression/hyb_mgga_xc_pw6b95.data.bz2,
testsuite/regression/hyb_mgga_xc_pwb6k.data.bz2: Added
mgga_xc_pwb6k and mgga_xc_pw6b95
2013-02-04 12:16 marques
* [r9929] src/mgga_c_bc95.c, src/xc.h: Added more flexibility to
Becke95
2013-02-04 11:10 marques
* [r9928] src/gga_x_pw91.c, src/xc.h,
testsuite/regression/gga_c_vpbe.data.bz2,
testsuite/regression/gga_x_mpw91.data.bz2,
testsuite/regression/gga_xc_mpwlyp1w.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1k.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1pw.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3pw.data.bz2,
testsuite/regression/mgga_c_revtpss.data.bz2,
testsuite/regression/mgga_x_mn12_l.data.bz2,
testsuite/regression/mgga_x_mn12_sx.data.bz2: Made PW91 code a
bit more general.
Reset of the testsuite
2013-02-04 09:43 marques
* [r9927] src/Makefile.am, src/mgga_x_mn12.c: Added the functionals
MGGA_X_MN12_L and MGGA_X_MN12_SX
2013-01-23 11:52 marques
* [r9883] src/libxc_master.F90: Changed the name of a variable and
a comment. Thanks Fabien.
2013-01-23 09:52 marques
* [r9882] src/functionals.c, src/hyb_gga_xc_hse.c,
src/hyb_gga_xc_pbeh.c, src/libxc_master.F90, src/xc.h,
src/xc_f.c: Removed interface to _set_cam and _set_exx.
Added interface to set mixing of both pbe0 and hse
2013-01-23 09:23 marques
* [r9881] src/gga_c_pbe.c: Corrected reference. Thanks David.
2013-01-22 13:40 marques
* [r9880] src/mgga_c_pkzb.c, src/mgga_c_vsxc.c: Added revisedTPSS
correlation
2013-01-22 13:20 marques
* [r9878] testsuite/regression/gga_c_ft97.data.bz2,
testsuite/regression/gga_c_optc.data.bz2,
testsuite/regression/gga_c_vpbe.data.bz2,
testsuite/regression/gga_xc_b97.data.bz2,
testsuite/regression/gga_xc_b97_1.data.bz2,
testsuite/regression/gga_xc_b97_2.data.bz2,
testsuite/regression/gga_xc_b97_3.data.bz2,
testsuite/regression/gga_xc_b97_d.data.bz2,
testsuite/regression/gga_xc_b97_gga1.data.bz2,
testsuite/regression/gga_xc_b97_k.data.bz2,
testsuite/regression/gga_xc_hcth_120.data.bz2,
testsuite/regression/gga_xc_hcth_147.data.bz2,
testsuite/regression/gga_xc_hcth_407.data.bz2,
testsuite/regression/gga_xc_hcth_407p.data.bz2,
testsuite/regression/gga_xc_hcth_93.data.bz2,
testsuite/regression/gga_xc_hcth_a.data.bz2,
testsuite/regression/gga_xc_hcth_p14.data.bz2,
testsuite/regression/gga_xc_hcth_p76.data.bz2,
testsuite/regression/gga_xc_sb98_1a.data.bz2,
testsuite/regression/gga_xc_sb98_1b.data.bz2,
testsuite/regression/gga_xc_sb98_1c.data.bz2,
testsuite/regression/gga_xc_sb98_2a.data.bz2,
testsuite/regression/gga_xc_sb98_2b.data.bz2,
testsuite/regression/gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_b97.data.bz2,
testsuite/regression/hyb_gga_xc_b97_1.data.bz2,
testsuite/regression/hyb_gga_xc_b97_2.data.bz2,
testsuite/regression/hyb_gga_xc_b97_3.data.bz2,
testsuite/regression/hyb_gga_xc_b97_k.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1c.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_mgga_xc_b86b95.data.bz2,
testsuite/regression/hyb_mgga_xc_b88b95.data.bz2,
testsuite/regression/hyb_mgga_xc_bb1k.data.bz2,
testsuite/regression/hyb_mgga_xc_m05.data.bz2,
testsuite/regression/hyb_mgga_xc_m05_2x.data.bz2,
testsuite/regression/hyb_mgga_xc_m06.data.bz2,
testsuite/regression/hyb_mgga_xc_m06_2x.data.bz2,
testsuite/regression/hyb_mgga_xc_m06_hf.data.bz2,
testsuite/regression/hyb_mgga_xc_mpw1b95.data.bz2,
testsuite/regression/hyb_mgga_xc_mpwb1k.data.bz2,
testsuite/regression/hyb_mgga_xc_pw86b95.data.bz2,
testsuite/regression/hyb_mgga_xc_x1b95.data.bz2,
testsuite/regression/hyb_mgga_xc_xb1k.data.bz2,
testsuite/regression/mgga_c_bc95.data.bz2,
testsuite/regression/mgga_c_m05.data.bz2,
testsuite/regression/mgga_c_m05_2x.data.bz2,
testsuite/regression/mgga_c_m06.data.bz2,
testsuite/regression/mgga_c_m06_2x.data.bz2,
testsuite/regression/mgga_c_m06_hf.data.bz2,
testsuite/regression/mgga_c_m06_l.data.bz2,
testsuite/regression/mgga_c_pkzb.data.bz2,
testsuite/regression/mgga_c_tpss.data.bz2,
testsuite/regression/mgga_c_vsxc.data.bz2,
testsuite/regression/mgga_x_ms0.data.bz2,
testsuite/regression/mgga_x_ms1.data.bz2,
testsuite/regression/mgga_x_ms2.data.bz2,
testsuite/regression/mgga_x_ms2h.data.bz2: Reset of the testsuite
after all the bug corrections
2013-01-22 13:15 marques
* [r9877] src/gga_c_optc.c, src/gga_c_pbe.c, src/gga_x_hjs.c,
src/work_gga_x.c: Added the variant PBE (vPBE) functional. From
my tests this is virtually identical to the PBE.
2013-01-22 12:25 marques
* [r9876] src/functionals.c, src/libxc_master.F90, src/xc.h,
src/xc_f.c: Added interfaces to get/set hybrid and cam parameters
2013-01-21 16:37 micael
* [r9875] ChangeLog: * Tagging Libxc version 2.0.1.
2013-01-21 14:40 micael
* [r9873] src/gga_c_optc.c, src/gga_x_hjs.c: * Some NaN were still
appearing.
2013-01-21 12:34 marques
* [r9872] src/mgga_c_pkzb.c: Fixed NaNs in the TPSS and PKZB
2013-01-21 12:29 marques
* [r9871] src/gga_x_hjs.c: This fixes the NaNs that were appearing
on the HJS_B88 functional
2013-01-21 10:23 marques
* [r9870] src/gga_c_wl.c: No more NaN in gga_c_wl
2013-01-21 10:11 marques
* [r9869] src/gga_c_optc.c: No more NaNs in optc ;)
2013-01-18 22:08 dstrubbe
* [r9845] .: svn:ignore for new file 'test-driver'
2013-01-18 08:59 marques
* [r9840] src/gga_c_optc.c, src/gga_x_hjs.c, src/mgga_x_m08.c:
Small bug fixes. Micael can you check if any of the segfaults
disapears?
2013-01-16 13:42 marques
* [r9833] src/Makefile.am, src/gga_c_ft97.c, src/mgga_x_ms.c,
src/test.c: Added new metagga functionals: X_MS0, X_MS1, X_MS2,
and X_MS2H (a hybrid version of MS2)
2013-01-16 09:47 marques
* [r9832] src/mgga_c_bc95.c: Still another POLARIZED missing in a
functional that uses the stoll decomposition.
2013-01-15 15:03 marques
* [r9829] src/mgga_c_vsxc.c: And again the same error in vsxc
2013-01-15 13:56 marques
* [r9828] src/mgga_c_pkzb.c: The same kind of bug was also present
in TPSS.
2013-01-15 12:47 marques
* [r9826] src/xc_f.c: Added interface as noted by Fabien Tran.
2013-01-15 12:43 marques
* [r9825] src/gga_xc_b97.c: Let's see if this corrects the bug with
B97-like functionals
2012-12-20 16:06 micael
* [r9791] src/libxc_master.F90: * Added missing Fortran interface
for xc_f90_version.
2012-12-07 01:37 dstrubbe
* [r9744] src/Makefile.am: Adding missing dependencies: full list
of files generated by get_funcs.pl.
2012-12-03 08:36 marques
* [r9722] src/util.c: Missing include directive. Thanks David.
2012-11-30 16:52 dstrubbe
* [r9700] .: Setting svn:ignore for new file xc_version.h.
2012-11-28 09:05 micael
* [r9696] NEWS, PACKAGING, configure.ac: * Tagging version 2.0.0 of
Libxc.
2012-11-26 14:06 micael
* [r9695] m4/ac_prog_sed.m4: * The ac_prog_sed.m4 macro was not
included in libxc.
2012-11-26 13:27 micael
* [r9693] ChangeLog: * Update libxc ChangeLog.
2012-11-26 13:02 micael
* [r9691] Makefile.am, configure.ac, src/Makefile.am,
src/version.c, src/xc.h, src/xc_f.c, xc_version.h.in: * Added
function to return the version information.
* Version information is now also available in a header file.
* Set version number to 2.x
* Added proper libtool versioning. Note that this one works in a
different way than the libxc version number.
2012-11-23 12:37 marques
* [r9687] TODO, src/mgga_x_m05.c, src/mgga_x_m06l.c,
testsuite/regression/gga_c_ft97.data.bz2,
testsuite/regression/mgga_x_m06.data.bz2,
testsuite/regression/mgga_x_m06_2x.data.bz2,
testsuite/regression/mgga_x_m06_hf.data.bz2: Small change in the
references
2012-11-23 12:29 marques
* [r9686] testsuite/regression/hyb_gga_xc_td_cam_b3lyp.data.bz2,
testsuite/regression/mgga_x_m06l.data.bz2: These two functionals
had changed name
2012-11-23 12:28 marques
* [r9685] src/functionals.c: There were some bits missing for the
hyb_mgga family
2012-11-23 12:28 marques
* [r9684] testsuite/regression/gga_c_ft97.data.bz2,
testsuite/regression/gga_c_op_b88.data.bz2,
testsuite/regression/gga_c_op_g96.data.bz2,
testsuite/regression/gga_c_op_pbe.data.bz2,
testsuite/regression/gga_c_op_xalpha.data.bz2,
testsuite/regression/gga_c_spbe.data.bz2,
testsuite/regression/gga_x_bpccac.data.bz2,
testsuite/regression/gga_x_lb.data.bz2,
testsuite/regression/gga_x_lbm.data.bz2,
testsuite/regression/gga_x_mpw91.data.bz2,
testsuite/regression/gga_x_ssb.data.bz2,
testsuite/regression/gga_x_ssb_d.data.bz2,
testsuite/regression/gga_x_ssb_sw.data.bz2,
testsuite/regression/gga_xc_b97.data.bz2,
testsuite/regression/gga_xc_b97_1.data.bz2,
testsuite/regression/gga_xc_b97_2.data.bz2,
testsuite/regression/gga_xc_b97_3.data.bz2,
testsuite/regression/gga_xc_b97_d.data.bz2,
testsuite/regression/gga_xc_b97_gga1.data.bz2,
testsuite/regression/gga_xc_b97_k.data.bz2,
testsuite/regression/gga_xc_hcth_120.data.bz2,
testsuite/regression/gga_xc_hcth_147.data.bz2,
testsuite/regression/gga_xc_hcth_407.data.bz2,
testsuite/regression/gga_xc_hcth_407p.data.bz2,
testsuite/regression/gga_xc_hcth_93.data.bz2,
testsuite/regression/gga_xc_hcth_a.data.bz2,
testsuite/regression/gga_xc_hcth_p14.data.bz2,
testsuite/regression/gga_xc_hcth_p76.data.bz2,
testsuite/regression/gga_xc_kt2.data.bz2,
testsuite/regression/gga_xc_mpwlyp1w.data.bz2,
testsuite/regression/gga_xc_sb98_1a.data.bz2,
testsuite/regression/gga_xc_sb98_1b.data.bz2,
testsuite/regression/gga_xc_sb98_1c.data.bz2,
testsuite/regression/gga_xc_sb98_2a.data.bz2,
testsuite/regression/gga_xc_sb98_2b.data.bz2,
testsuite/regression/gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_b3pw91.data.bz2,
testsuite/regression/hyb_gga_xc_b97.data.bz2,
testsuite/regression/hyb_gga_xc_b97_1.data.bz2,
testsuite/regression/hyb_gga_xc_b97_2.data.bz2,
testsuite/regression/hyb_gga_xc_b97_3.data.bz2,
testsuite/regression/hyb_gga_xc_b97_k.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1k.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1pw.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3pw.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1c.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_tuned_cam_b3lyp.data.bz2,
testsuite/regression/hyb_mgga_xc_b86b95.data.bz2,
testsuite/regression/hyb_mgga_xc_b88b95.data.bz2,
testsuite/regression/hyb_mgga_xc_bb1k.data.bz2,
testsuite/regression/hyb_mgga_xc_m05.data.bz2,
testsuite/regression/hyb_mgga_xc_m05_2x.data.bz2,
testsuite/regression/hyb_mgga_xc_m06.data.bz2,
testsuite/regression/hyb_mgga_xc_m06_2x.data.bz2,
testsuite/regression/hyb_mgga_xc_m06_hf.data.bz2,
testsuite/regression/hyb_mgga_xc_mpw1b95.data.bz2,
testsuite/regression/hyb_mgga_xc_mpwb1k.data.bz2,
testsuite/regression/hyb_mgga_xc_pw86b95.data.bz2,
testsuite/regression/hyb_mgga_xc_x1b95.data.bz2,
testsuite/regression/hyb_mgga_xc_xb1k.data.bz2,
testsuite/regression/mgga_c_bc95.data.bz2,
testsuite/regression/mgga_c_m05.data.bz2,
testsuite/regression/mgga_c_m05_2x.data.bz2,
testsuite/regression/mgga_c_m06.data.bz2,
testsuite/regression/mgga_c_m06_2x.data.bz2,
testsuite/regression/mgga_c_m06_hf.data.bz2,
testsuite/regression/mgga_c_m06_l.data.bz2,
testsuite/regression/mgga_c_pkzb.data.bz2,
testsuite/regression/mgga_c_tpss.data.bz2,
testsuite/regression/mgga_c_vsxc.data.bz2,
testsuite/regression/mgga_x_2d_prhg07.data.bz2,
testsuite/regression/mgga_x_2d_prhg07_prp10.data.bz2,
testsuite/regression/mgga_x_bj06.data.bz2,
testsuite/regression/mgga_x_br89.data.bz2,
testsuite/regression/mgga_x_gvt4.data.bz2,
testsuite/regression/mgga_x_lta.data.bz2,
testsuite/regression/mgga_x_m05.data.bz2,
testsuite/regression/mgga_x_m05_2x.data.bz2,
testsuite/regression/mgga_x_m06.data.bz2,
testsuite/regression/mgga_x_m06_2x.data.bz2,
testsuite/regression/mgga_x_m06_hf.data.bz2,
testsuite/regression/mgga_x_m06_l.data.bz2,
testsuite/regression/mgga_x_m08_hx.data.bz2,
testsuite/regression/mgga_x_m08_so.data.bz2,
testsuite/regression/mgga_x_pkzb.data.bz2,
testsuite/regression/mgga_x_revtpss.data.bz2,
testsuite/regression/mgga_x_rpp09.data.bz2,
testsuite/regression/mgga_x_tau_hcth.data.bz2,
testsuite/regression/mgga_x_tb09.data.bz2,
testsuite/regression/mgga_x_tpss.data.bz2: Reset the regression
tests, and added the new functionals
2012-11-23 12:18 marques
* [r9683] src/hyb_mgga_xc_m05.c: Sorry, some names were wrong.
2012-11-23 10:43 marques
* [r9682] src/hyb_mgga_xc_m05.c: Seems that I forgot this file
2012-11-23 10:37 marques
* [r9681] src/Makefile.am, src/gga_x_ityh.c, src/gga_x_pw91.c,
src/gga_xc_1w.c, src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_o3lyp.c, src/mgga_c_b95.c, src/mgga_c_bc95.c,
src/mgga_x_m05.c: Added a series of hybrid meta-ggas, namely
XC_HYB_MGGA_XC_M05, XC_HYB_MGGA_XC_M05_2X,
XC_HYB_MGGA_XC_BX88B95, XC_HYB_MGGA_XC_BX86B95,
XC_HYB_MGGA_XC_PWX86B95, XC_HYB_MGGA_XC_BB1K,
XC_HYB_MGGA_XC_MPW1B95, XC_HYB_MGGA_XC_MPWB1K,
XC_HYB_MGGA_XC_X1B95, XC_HYB_MGGA_XC_XB1K.
2012-11-23 08:18 marques
* [r9680] src/gga.c, src/gga_x_kt.c, src/gga_x_ssb_sw.c,
src/gga_xc_1w.c, src/gga_xc_edf1.c, src/hyb_gga_xc_b1wc.c,
src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b97.c,
src/hyb_gga_xc_cam_b3lyp.c, src/hyb_gga_xc_hse.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_pbeh.c, src/mgga.c,
src/mix_func.c, src/util.c, src/util.h, src/xc.h: Added the
possibility of having MGGAs that are mixtures of other
functionals
2012-11-22 15:23 marques
* [r9679] src/work_mgga_x.c: Bug correction: v2rhotau and friends
should ahve 4 entries, not 3, and it is the last one that is the
down-down.
2012-11-22 14:55 marques
* [r9678] src/Makefile.am, src/mgga_c_b95.c: Added B95 correlation
2012-11-22 13:22 marques
* [r9677] src/Makefile.am, src/gga_c_ft97.c, src/mgga_c_pkzb.c,
src/mgga_c_tpss.c, src/stoll.c, src/util.h: Rewrote the TPSS
correlation.
2012-11-21 14:21 marques
* [r9667] src/Makefile.am, src/gga_c_pbe.c, src/mgga_c_pkzb.c,
src/stoll.c, src/util.h: Added the correlation part of PKZB
2012-11-21 08:41 marques
* [r9665] src/mgga_c_vsxc.c: Added the correlation part of M05 and
M05-2X.
2012-11-20 21:42 dstrubbe
* [r9662] testsuite/xc-consistency.c, testsuite/xc-regression.c:
Removing superfluous and redundant declarations, flagged by
ifort.
2012-11-20 13:44 marques
* [r9652] src/gga_xc_b97.c, src/mgga_c_vsxc.c, src/util.h: Added
the correlation part of M06, M06-L, M06-HF, and M06-2x
2012-11-19 14:31 marques
* [r9651] src/Makefile.am, src/gga_c_am05.c, src/gga_c_lm.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c,
src/gga_c_sogga11.c, src/gga_c_tca.c, src/gga_xc_b97.c,
src/lda_c_1d_csc.c, src/lda_c_1d_loos.c, src/lda_c_2d_amgb.c,
src/lda_c_2d_prm.c, src/lda_c_gombas.c, src/lda_c_hl.c,
src/lda_c_ml1.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_rc04.c, src/lda_c_rpa.c, src/lda_c_vwn.c,
src/lda_c_wigner.c, src/lda_k_tf.c, src/lda_x.c, src/lda_x_1d.c,
src/lda_x_2d.c, src/lda_xc_teter93.c, src/mgga_c_vsxc.c,
src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c, src/mgga_x_gvt4.c,
src/mgga_x_lta.c, src/mgga_x_m05.c, src/mgga_x_m06l.c,
src/mgga_x_m08.c, src/mgga_x_pkzb.c, src/mgga_x_tau_hcth.c,
src/mgga_x_tpss.c, src/mgga_xc_vsxc.c, src/stoll.c, src/test.c,
src/util.h, src/work_lda.c, src/work_mgga_c.c, src/work_mgga_x.c:
Rewrote vsxc (correlation part)
2012-11-19 09:57 marques
* [r9650] src/Makefile.am, src/gga_xc_b97.c, src/mgga_xc_vsxc.c,
src/stoll.c, src/util.h, src/work_gga_becke.c: Rewrote becke 97
in order to remove the ugly work_gga_becke that was only used by
one family of functionals.
2012-11-16 14:10 marques
* [r9646] src/gga_c_op.c: Silly mistake.
2012-11-16 08:39 marques
* [r9645] src/Makefile.am, src/mgga_x_m08.c: Added two M08
variants, _HX and _SO
2012-11-15 15:07 marques
* [r9639] src/mgga_x_m05.c, src/mgga_x_m06l.c, src/util.h:
Reorganize the M05/06 echange functionals and added the exchange
part of m06, m06-hf, and m06-2x
2012-11-15 13:38 marques
* [r9638] src/mgga_xc_vsxc.c: Updated constants in vsxc by
comparison with nwchem
2012-11-15 13:25 marques
* [r9637] src/Makefile.am, src/mgga_x_m05.c: Added the exchange
part of M05 and M05-2X.
2012-11-15 09:41 marques
* [r9636] src/mgga_x_pkzb.c: Sorry the previous constant seemed to
be wrong
2012-11-15 09:38 marques
* [r9635] src/mgga_x_pkzb.c: Semms that g95 does not understand
what a constant expression is.
2012-11-15 08:43 marques
* [r9634] src/util.h: Missing declaration. Thanks David.
2012-11-15 08:41 marques
* [r9633] src/Makefile.am, src/mgga_x_pkzb.c, src/test.c: Added the
exchange part of the PKZB meta-GGA. As a curious notice, I do
remember trying to implement this in 2000, and giving up after
200 or 300 lines of code because it was too complicated (and did
not give any significant difference in the potential). Today's
routine is 50 lines long and took a couple fo hours to implement.
2012-11-14 20:16 dstrubbe
* [r9628] src/lda_x.c: Unused variables.
2012-11-14 14:28 marques
* [r9625] src/Makefile.am, src/gga_c_op.c, src/gga_x_g96.c,
src/gga_x_ityh.c, src/util.h: Added a new family of functionals
(one parameter GGAs)
2012-11-13 07:54 marques
* [r9608] src/gga_x_lb.c: We treat LB as an exchange functional,
even if technically this is not exactly the case.
2012-11-12 21:10 marques
* [r9599] src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b97.c, src/xc.h:
Small inconsistencies found by Tiago Cerqueira.
2012-11-12 20:23 marques
* [r9598] src/gga_xc_b97.c, src/lda_c_vwn.c: Two bugs (one large
one small) found by David. Can you please check that your icc
does not complain now? Thanks.
2012-11-12 14:59 marques
* [r9597] TODO, src/Makefile.am, src/expint_e1.c, src/gga_c_ft97.c,
src/util.h, src/xc_config.h: Added the Fitalov & Thiel
correlation (GGA).
2012-11-12 11:09 marques
* [r9596] src/hyb_gga_xc_cam_b3lyp.c: Renamed TD_CAM_B3LYP to the
correct TUNED_CAM_B3LYP. Thanks Fabien (again).
2012-10-26 19:31 marques
* [r9533] src/gga_x_bpccac.c: Very silly mistake. Thanks David.
2012-10-26 14:26 marques
* [r9532] src/gga_x_bpccac.c, src/gga_x_pw91.c: According to nwchem
that seems to have contacted directly Carlo Adamo, there is a
small misprint in the mpw91 constants in the original paper. I am
now using the corrected constants.
2012-10-22 15:54 marques
* [r9517] src/mgga_x_br89.c: I forgot a couple of factors of 2 in
tb09. Thanks to Marjus Meitern for pointing it out.
2012-09-26 14:25 marques
* [r9472] src/gga_c_pbe.c, src/work_gga_c.c: Added functional
XC_GGA_C_SPBE
2012-09-26 13:34 marques
* [r9471] src/Makefile.am, src/gga_x_kt.c, src/gga_x_ssb_sw.c,
src/xc.h: Corrected bug in gga_xc_kt2
Added functionals XC_GGA_X_SSB_SW, XC_GGA_X_SSB, and
XC_GGA_X_SSB_D
2012-09-25 07:57 marques
* [r9467] src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_o3lyp.c: As I
changed the default interpolation for the VWN_RPA one does not
need to set it explicitly in the hybrids
2012-09-25 07:56 marques
* [r9466] testsuite/regression/gga_xc_b97_gga1.data.bz2,
testsuite/regression/gga_xc_hcth_407p.data.bz2,
testsuite/regression/gga_xc_hcth_a.data.bz2,
testsuite/regression/gga_xc_hcth_p14.data.bz2,
testsuite/regression/gga_xc_hcth_p76.data.bz2,
testsuite/regression/lda_c_vwn.data.bz2,
testsuite/regression/lda_c_vwn_1.data.bz2,
testsuite/regression/lda_c_vwn_2.data.bz2,
testsuite/regression/lda_c_vwn_3.data.bz2,
testsuite/regression/lda_c_vwn_4.data.bz2,
testsuite/regression/lda_c_vwn_rpa.data.bz2: Added tests for the
new functional from yesterday and today, and updated the VWN
tests that had changed slightly the title
2012-09-25 07:52 marques
* [r9465] src/gga_xc_b97.c, src/lda_c_vwn.c: Implemented all other
versions of VWN (VWN1, VWN2, VWN3, VWN4), besides the 5 and the
RPA that were already there.
2012-09-24 12:01 marques
* [r9463] src/gga_xc_b97.c, src/util.h, src/work_gga_becke.c:
Cleaned a bit the B97 functionals and added the functionals
HCTH_A, B97_GGA1, HCTH_P14, HCTH_P76, and HCTH_407P
2012-09-21 09:45 marques
* [r9460] testsuite/regression/gga_c_revtca.data.bz2,
testsuite/regression/gga_c_tca.data.bz2,
testsuite/regression/gga_x_bpccac.data.bz2,
testsuite/regression/hyb_gga_xc_mb3lyp_rc04.data.bz2,
testsuite/regression/lda_c_rc04.data.bz2,
testsuite/regression/mgga_c_tpss.data.bz2,
testsuite/regression/mgga_c_vsxc.data.bz2,
testsuite/regression/mgga_x_bj06.data.bz2,
testsuite/regression/mgga_x_br89.data.bz2,
testsuite/regression/mgga_x_m06l.data.bz2,
testsuite/regression/mgga_x_revtpss.data.bz2,
testsuite/regression/mgga_x_rpp09.data.bz2,
testsuite/regression/mgga_x_tb09.data.bz2: I reset the regression
tests. They are not very well chosen for the meta-GGAs, I have to
say...
2012-09-21 09:42 marques
* [r9459] src/mgga_c_tpss.c, src/mgga_x_2d_prhg07.c,
src/mgga_x_br89.c, src/mgga_x_lta.c, src/mgga_x_m06l.c,
src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c, src/mgga_xc_vsxc.c,
src/test.c: Changed the definition of tau. Now tau_new =
tau_old/2
2012-09-21 09:03 marques
* [r9458] src/Makefile.am, src/gga_x_bpccac.c, src/gga_x_ityh.c,
src/gga_x_pw91.c, src/util.h: Added a new functional, bpccac
2012-09-17 09:18 marques
* [r9435] src/Makefile.am, src/gga_c_tca.c: Added two new GGA
correlation functionals, LTA and revLTA
2012-09-14 11:30 marques
* [r9412] src/hyb_gga_xc_b3lyp.c: Added a b3lyp-like hybrid based
on rc04
2012-09-14 09:43 marques
* [r9411] src/Makefile.am, src/lda_c_rc04.c: Added a new lda
correlation functional, Ragot-Cortona
2012-09-08 15:37 marques
* [r9377] src/gga_x_wc.c: This should fix the warning David was
getting.
2012-09-07 13:40 marques
* [r9366] src/lda_k_tf.c, src/work_gga_x.c,
testsuite/regression/gga_k_absr1.data.bz2,
testsuite/regression/gga_k_absr2.data.bz2,
testsuite/regression/gga_k_apbe.data.bz2,
testsuite/regression/gga_k_baltin.data.bz2,
testsuite/regression/gga_k_dk.data.bz2,
testsuite/regression/gga_k_ernzerhof.data.bz2,
testsuite/regression/gga_k_fr_b88.data.bz2,
testsuite/regression/gga_k_fr_pw86.data.bz2,
testsuite/regression/gga_k_ge2.data.bz2,
testsuite/regression/gga_k_golden.data.bz2,
testsuite/regression/gga_k_gp85.data.bz2,
testsuite/regression/gga_k_gr.data.bz2,
testsuite/regression/gga_k_lc94.data.bz2,
testsuite/regression/gga_k_lieb.data.bz2,
testsuite/regression/gga_k_llp.data.bz2,
testsuite/regression/gga_k_ludena.data.bz2,
testsuite/regression/gga_k_ol1.data.bz2,
testsuite/regression/gga_k_ol2.data.bz2,
testsuite/regression/gga_k_pearson.data.bz2,
testsuite/regression/gga_k_perdew.data.bz2,
testsuite/regression/gga_k_thakkar.data.bz2,
testsuite/regression/gga_k_tw1.data.bz2,
testsuite/regression/gga_k_tw2.data.bz2,
testsuite/regression/gga_k_tw3.data.bz2,
testsuite/regression/gga_k_tw4.data.bz2,
testsuite/regression/gga_k_vjks.data.bz2,
testsuite/regression/gga_k_vsk.data.bz2,
testsuite/regression/gga_k_vw.data.bz2,
testsuite/regression/gga_k_yt65.data.bz2,
testsuite/regression/lda_k_lp.data.bz2,
testsuite/regression/lda_k_tf.data.bz2: Started changing the
definition of tau in libxc. The new tau is the old tau/2, i.e.
now our tau is the correct kinetic energy density.
2012-09-07 13:28 marques
* [r9365] src/gga_xc_th.c,
testsuite/regression/gga_c_optc.data.bz2,
testsuite/regression/gga_k_golden.data.bz2,
testsuite/regression/gga_k_lc94.data.bz2,
testsuite/regression/gga_k_lieb.data.bz2,
testsuite/regression/gga_k_ol1.data.bz2,
testsuite/regression/gga_k_ol2.data.bz2,
testsuite/regression/gga_x_ityh.data.bz2,
testsuite/regression/gga_x_ol2.data.bz2,
testsuite/regression/gga_x_rpw86.data.bz2,
testsuite/regression/gga_xc_th1.data.bz2,
testsuite/regression/gga_xc_th2.data.bz2,
testsuite/regression/gga_xc_th3.data.bz2,
testsuite/regression/gga_xc_th4.data.bz2,
testsuite/regression/gga_xc_th_fc.data.bz2,
testsuite/regression/gga_xc_th_fcfo.data.bz2,
testsuite/regression/gga_xc_th_fco.data.bz2,
testsuite/regression/gga_xc_th_fl.data.bz2,
testsuite/regression/hyb_gga_xc_bhandh.data.bz2,
testsuite/regression/hyb_gga_xc_bhandhlyp.data.bz2,
testsuite/regression/hyb_gga_xc_cam_b3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_td_cam_b3lyp.data.bz2,
testsuite/regression/lda_c_1d_loos.data.bz2,
testsuite/regression/mgga_c_tpss.data.bz2,
testsuite/regression/mgga_x_tpss.data.bz2: Reset the regression
tests. Most of the failing cases were trivial (the funny
characters in the reference), but I do not trust much the _th
family for now.
2012-09-05 18:51 dstrubbe
* [r9337] m4/fc_integer.m4: m4/fc_integer.m4 in libxc is an exact
copy of the one in Octopus. Therefore, I am backporting my
changes in r9308 and r9309 to libxc, for improved robustness and
ability to cross-compile.
2012-09-04 23:00 dstrubbe
* [r9320] src/functionals.c, src/work_gga_c.c: Libxc:
* Fixing an apparent bug from r9215 -- one occurrence of 'order'
was not changed to 'r.order' and as a result was a variable being
used without initialization (which could cause the function to
return without computing).
* Misspelling.
* Fixing apparent mistake in return type, as signalled by the
compiler warning 'missing return statement at end of non-void
function' for xc_hyb_cam_coef.
2012-09-04 22:29 dstrubbe
* [r9317] src/gga_k_ol1.c, src/gga_k_ol2.c, src/gga_k_tflw.c,
src/gga_x_pw86.c, src/gga_x_pw91.c: Fixing some peculiar
characters in place of dashes in libxc, which cause this warning
from ifort: invalid multibyte character sequence
2012-09-04 22:13 xavier
* [r9315] src/special_functions.c, src/util.h: Moved the definition
of cheb_eval to util.h, so xlc is happy.
2012-08-01 13:53 marques
* [r9222] src/lda_x.c: According to some people, one has to write
the attenuation function
differently in order to limit the numerical errors...
2012-08-01 08:10 marques
* [r9221] src/gga_x_ityh.c: Corrected what seemed to me as a bug...
2012-08-01 07:51 marques
* [r9220] src/Makefile.am, src/lda_c_1d_loos.c: Added a new LDA
functional for 1D systems
2012-07-27 07:57 micael
* [r9217] src/mgga_c_tpss.c, src/mgga_x_tpss.c: * Fixed several
bugs in the TPSS functional.
2012-07-27 07:54 marques
* [r9216] src/gga_c_am05.c, src/gga_c_lm.c, src/gga_c_lyp.c,
src/gga_c_optc.c, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_c_sogga11.c, src/gga_c_wi.c,
src/gga_c_wl.c, src/gga_xc_th.c, src/util.h, src/work_gga_c.c:
Simplyfied the interfaces to the GGA correlation functionals.
There were
too many arguments, and if one day I do implement kxc, then the
interface would probably be more than 10 lines long!
2012-07-26 08:18 marques
* [r9215] src/Makefile.am, src/gga_c_optc.c, src/gga_c_pw91.c,
src/util.h: Added the opc_c GGA functional.
2012-07-19 11:53 marques
* [r9206] src/hyb_gga_xc_b1wc.c: Another bug found by Fabien
2012-07-18 14:02 marques
* [r9204] src/hyb_gga_xc_cam_b3lyp.c: Bugs found by Fabien.
2012-07-18 10:55 marques
* [r9203] src/hyb_gga_xc_b1wc.c: Added Becke Half-and-Half and a
variation of it. These functionals are in Gaussian.
2012-07-18 08:38 marques
* [r9202] src/hyb_gga_xc_cam_b3lyp.c: With the debugging of Fabien
maybe CM-B3LYP will work now.
2012-07-14 21:29 marques
* [r9200] src/functionals.c, src/xc.h: functional_get_number needs
only a const char * not a char *. Thanks to Jussi Lehtola for
this.
2012-06-14 13:11 mjv500
* [r9124] src/functionals.c, src/xc.h, src/xc_f.c: back to function
for hyb_exx_coeff
2012-06-14 06:14 mjv500
* [r9123] src/functionals.c, src/xc.h, src/xc_f.c: intermediate
patch for libxc interface of hyb_exx_coef - still not fixed.
Miguel, please have a look
2012-06-06 12:33 marques
* [r9108] TODO, configure.ac, testsuite/xc-consistency.c: Now
feenableexcept is checked for, to make all your apple lovers
happy.
2012-06-04 10:22 marques
* [r9106] src/Makefile.am, src/hyb_gga_xc_cam_b3lyp.c: Added
CAM-B3LYP. Please handle with care, as I am not sure at all of
the actual definition of the functional.
2012-06-04 07:32 marques
* [r9104] src/lda_c_2d_prm.c, src/lda_x.c,
testsuite/xc-consistency.c: Small fixes
2012-06-01 21:30 marques
* [r9095] src/Makefile.am, src/gga_x_b88.c, src/gga_x_ityh.c,
src/lda_x.c, src/util.h, src/xc.h: Added a generic way to make
short-range exchange GGAs.
2012-06-01 14:25 marques
* [r9092] src/functionals.c, src/gga.c, src/gga_x_sogga11.c,
src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_hse.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_pbeh.c, src/xc.h,
testsuite/regression/hyb_gga_xc_hjs_b88.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_b97x.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_pbe.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_pbe_sol.data.bz2,
testsuite/regression/hyb_gga_xc_hse03.data.bz2,
testsuite/regression/hyb_gga_xc_hse06.data.bz2,
testsuite/xc-regression.c: Hope this fixes compilation.
Better interface to CAM functionals
2012-06-01 13:49 marques
* [r9091] TODO, src/functionals.c, src/gga.c, src/gga_c_am05.c,
src/gga_c_lm.c, src/gga_c_lyp.c, src/gga_c_p86.c,
src/gga_c_pbe.c, src/gga_c_pw91.c, src/gga_c_sogga11.c,
src/gga_c_wi.c, src/gga_c_wl.c, src/gga_k_dk.c, src/gga_k_ol1.c,
src/gga_k_ol2.c, src/gga_k_pearson.c, src/gga_k_tflw.c,
src/gga_x_2d_b86.c, src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c,
src/gga_x_2d_pbe.c, src/gga_x_airy.c, src/gga_x_am05.c,
src/gga_x_b86.c, src/gga_x_b86_mgc.c, src/gga_x_b88.c,
src/gga_x_bayesian.c, src/gga_x_c09x.c, src/gga_x_dk87.c,
src/gga_x_ft97.c, src/gga_x_g96.c, src/gga_x_herman.c,
src/gga_x_hjs.c, src/gga_x_htbs.c, src/gga_x_kt.c,
src/gga_x_lb.c, src/gga_x_lg93.c, src/gga_x_mpbe.c,
src/gga_x_optx.c, src/gga_x_pbe.c, src/gga_x_pbea.c,
src/gga_x_pw86.c, src/gga_x_pw91.c, src/gga_x_rpbe.c,
src/gga_x_sogga11.c, src/gga_x_wc.c, src/gga_x_wpbeh.c,
src/gga_xc_1w.c, src/gga_xc_b97.c, src/gga_xc_edf1.c,
src/gga_xc_th.c, src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_hse.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_pbeh.c, src/lda.c,
src/lda_c_1d_csc.c, src/lda_c_2d_amgb.c, src/lda_c_2d_prm.c,
src/lda_c_gombas.c, src/lda_c_hl.c, src/lda_c_ml1.c,
src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c, src/lda_c_vwn.c,
src/lda_c_wigner.c, src/lda_k_tf.c, src/lda_x.c, src/lda_x_1d.c,
src/lda_x_2d.c, src/lda_xc_teter93.c, src/libxc_master.F90,
src/mgga.c, src/mgga_c_tpss.c, src/mgga_x_2d_prhg07.c,
src/mgga_x_br89.c, src/mgga_x_lta.c, src/mgga_x_m06l.c,
src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c, src/mgga_xc_vsxc.c,
src/mix_func.c, src/util.h, src/work_gga_becke.c,
src/work_gga_c.c, src/work_gga_x.c, src/work_lda.c,
src/work_mgga_c.c, src/work_mgga_x.c, src/xc.h, src/xc_f.c,
testsuite/regression/gga_x_hjs_b88.data.bz2,
testsuite/regression/gga_x_hjs_b97x.data.bz2,
testsuite/regression/gga_x_hjs_pbe.data.bz2,
testsuite/regression/gga_x_hjs_pbe_sol.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_b88.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_b97x.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_pbe.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_pbe_sol.data.bz2,
testsuite/xc-consistency.c: Spring cleaning in libxc. Got rid of
several code and simplified the structure of the library.
Changed the default screening of the HJS.
2012-05-31 14:35 marques
* [r9090] src/gga_x_wpbeh.c: Added another rescaling function (not
used by now)
2012-05-31 13:08 marques
* [r9089] testsuite/regression/gga_c_am05.data.bz2,
testsuite/regression/gga_c_apbe.data.bz2,
testsuite/regression/gga_c_lm.data.bz2,
testsuite/regression/gga_c_lyp.data.bz2,
testsuite/regression/gga_c_p86.data.bz2,
testsuite/regression/gga_c_pbe.data.bz2,
testsuite/regression/gga_c_pbe_jrgx.data.bz2,
testsuite/regression/gga_c_pbe_sol.data.bz2,
testsuite/regression/gga_c_pw91.data.bz2,
testsuite/regression/gga_c_rge2.data.bz2,
testsuite/regression/gga_c_sogga11.data.bz2,
testsuite/regression/gga_c_sogga11_x.data.bz2,
testsuite/regression/gga_c_wi.data.bz2,
testsuite/regression/gga_c_wi0.data.bz2,
testsuite/regression/gga_c_wl.data.bz2,
testsuite/regression/gga_c_xpbe.data.bz2,
testsuite/regression/gga_k_gp85.data.bz2,
testsuite/regression/gga_k_ludena.data.bz2,
testsuite/regression/gga_k_ol1.data.bz2,
testsuite/regression/gga_k_ol2.data.bz2,
testsuite/regression/gga_k_thakkar.data.bz2,
testsuite/regression/gga_k_vw.data.bz2,
testsuite/regression/gga_x_am05.data.bz2,
testsuite/regression/gga_x_hjs_b88.data.bz2,
testsuite/regression/gga_x_hjs_b97x.data.bz2,
testsuite/regression/gga_x_hjs_pbe.data.bz2,
testsuite/regression/gga_x_hjs_pbe_sol.data.bz2,
testsuite/regression/gga_x_lag.data.bz2,
testsuite/regression/gga_x_ol2.data.bz2,
testsuite/regression/gga_x_wpbeh.data.bz2,
testsuite/regression/gga_xc_b97.data.bz2,
testsuite/regression/gga_xc_b97_1.data.bz2,
testsuite/regression/gga_xc_b97_2.data.bz2,
testsuite/regression/gga_xc_b97_3.data.bz2,
testsuite/regression/gga_xc_b97_d.data.bz2,
testsuite/regression/gga_xc_b97_k.data.bz2,
testsuite/regression/gga_xc_edf1.data.bz2,
testsuite/regression/gga_xc_hcth_120.data.bz2,
testsuite/regression/gga_xc_hcth_147.data.bz2,
testsuite/regression/gga_xc_hcth_407.data.bz2,
testsuite/regression/gga_xc_hcth_93.data.bz2,
testsuite/regression/gga_xc_mohlyp.data.bz2,
testsuite/regression/gga_xc_mohlyp2.data.bz2,
testsuite/regression/gga_xc_mpwlyp1w.data.bz2,
testsuite/regression/gga_xc_pbe1w.data.bz2,
testsuite/regression/gga_xc_pbelyp1w.data.bz2,
testsuite/regression/gga_xc_sb98_1a.data.bz2,
testsuite/regression/gga_xc_sb98_1b.data.bz2,
testsuite/regression/gga_xc_sb98_1c.data.bz2,
testsuite/regression/gga_xc_sb98_2a.data.bz2,
testsuite/regression/gga_xc_sb98_2b.data.bz2,
testsuite/regression/gga_xc_sb98_2c.data.bz2,
testsuite/regression/gga_xc_th1.data.bz2,
testsuite/regression/gga_xc_th2.data.bz2,
testsuite/regression/gga_xc_th3.data.bz2,
testsuite/regression/gga_xc_th4.data.bz2,
testsuite/regression/gga_xc_th_fc.data.bz2,
testsuite/regression/gga_xc_th_fcfo.data.bz2,
testsuite/regression/gga_xc_th_fco.data.bz2,
testsuite/regression/gga_xc_xlyp.data.bz2,
testsuite/regression/hyb_gga_xc_b1lyp.data.bz2,
testsuite/regression/hyb_gga_xc_b1pw91.data.bz2,
testsuite/regression/hyb_gga_xc_b1wc.data.bz2,
testsuite/regression/hyb_gga_xc_b3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_b3p86.data.bz2,
testsuite/regression/hyb_gga_xc_b3pw91.data.bz2,
testsuite/regression/hyb_gga_xc_b97.data.bz2,
testsuite/regression/hyb_gga_xc_b97_1.data.bz2,
testsuite/regression/hyb_gga_xc_b97_2.data.bz2,
testsuite/regression/hyb_gga_xc_b97_3.data.bz2,
testsuite/regression/hyb_gga_xc_b97_k.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_b88.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_b97x.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_pbe.data.bz2,
testsuite/regression/hyb_gga_xc_hjs_pbe_sol.data.bz2,
testsuite/regression/hyb_gga_xc_hse03.data.bz2,
testsuite/regression/hyb_gga_xc_hse06.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1k.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1pw.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3pw.data.bz2,
testsuite/regression/hyb_gga_xc_o3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1c.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_x3lyp.data.bz2,
testsuite/regression/lda_c_xalpha.data.bz2,
testsuite/regression/lda_x.data.bz2,
testsuite/regression/lda_x_1d.data.bz2,
testsuite/regression/mgga_x_2d_prhg07.data.bz2,
testsuite/regression/mgga_x_2d_prhg07_prp10.data.bz2,
testsuite/regression/mgga_x_m06l.data.bz2,
testsuite/regression/mgga_x_tb09.data.bz2: I reset the regression
tests that changed after Micael changed the thresholds for the
functionals. Please next do not forget to reset the regression
tests.
2012-05-31 12:48 marques
* [r9088] src/hyb_gga_xc_hse.c: Added the hybrid forms of hjs
2012-05-31 12:25 marques
* [r9087] src/lda_x.c, src/util.h: Added the range-separated
exchange LDA
2012-05-30 09:29 marques
* [r9086] src/gga_x_wpbeh.c, src/libxc_master.F90: Added fortran
interface to HJS
2012-05-23 13:03 marques
* [r9075] src/gga_x_wpbeh.c: Sorry had left a debug line
2012-05-23 12:45 marques
* [r9074] src/gga_x_wpbeh.c: A few bugs corrected in HSE
2012-05-16 14:27 marques
* [r9072] src/gga_x_hjs.c: Added other versions of this functional.
2012-05-16 14:14 marques
* [r9071] src/Makefile.am, src/gga_x_hjs.c, src/util.h, src/xc.h:
Added another short-range form of the PBE
2012-05-11 15:10 marques
* [r9070] src/Makefile.am, src/bessel.c, src/expint_e1.c,
src/lda_x_1d.c, src/mgga_x_2d_prhg07.c, src/special_functions.c,
src/test.c, src/util.h: Rewrote the bessel functions in order to
have proper double precision
2012-05-11 09:08 marques
* [r9069] src/gga_x_wpbeh.c, src/lda_x_1d.c,
src/special_functions.c, src/util.h: Implemented a more precise
version of the exponential integral
2012-05-10 11:39 marques
* [r9066] src/libxc_master.F90, src/xc_f.c: Added Fortran interface
to hse set par routines
2012-05-10 11:33 marques
* [r9065] src/hyb_gga_xc_hse.c, src/util.h, src/xc.h: Forgot to
rename a couple of routines
2012-05-10 11:31 marques
* [r9064] src/Makefile.am, src/gga_x_pbe_sr.c, src/gga_x_wpbeh.c,
src/hyb_gga_xc_hse.c: Renamed pbe_sr to wpbeh as it is commonly
called.
Now HSE if based on PBEh and not on PBE
2012-05-07 22:18 marques
* [r9062] src/hyb_gga_xc_hse.c: Sorry, one c too much
2012-05-07 21:58 marques
* [r9061] src/hyb_gga_xc_hse.c, src/util.h, src/xc.h: HSE is an xc
functional, not an x functional
2012-05-07 09:50 marques
* [r9060] src/hyb_gga_xc_hse.c: Bug found by F. Bruneval fixed
2012-05-04 10:00 marques
* [r9058] src/lda_x.c, src/mgga.c: A couple of bugs found by Micael
2012-05-04 09:43 marques
* [r9057] src/mgga_c_tpss.c, src/mgga_x_2d_prhg07.c,
src/mgga_x_br89.c, src/mgga_x_m06l.c: Small bug fixes
2012-05-03 14:36 marques
* [r9056] src/hyb_gga_xc_hse.c: Clarified a comment
2012-05-03 14:07 marques
* [r9055] src/gga_x_pbe_sr.c: Now xc-consistency tells me that the
derivatives are OK. There was a small bug that I fixed.
2012-05-03 13:13 marques
* [r9054] src/Makefile.am, src/gga_x_pbe_sr.c, src/hyb_gga_x_hse.c,
src/hyb_gga_xc_hse.c, src/util.h, src/xc.h: Copied the first
derivatives from espresso and rearranged the code. I still do not
trust the first derivatives, so beware!
2012-05-02 15:23 marques
* [r9053] src/hyb_gga_x_hse.c: This should make some C compilers
happy
2012-05-02 14:31 marques
* [r9052] src/lda_x.c, src/libxc_master.F90, src/xc_f.c: I better
add some work I had some in the range seperated LDAs, or libxc
will not compile. WARNING, there is a change in the API in order
to add the range separation */
2012-05-02 14:29 marques
* [r9051] src/Makefile.am, src/hyb_gga_x_hse.c, src/util.h,
src/xc.h: Added the exc for the local part of HSE. I shamelessly
adapted the code from espresso.
2012-04-26 12:36 micael
* [r9042] README: * More information and some cosmetic changes to
the libxc README file.
2012-04-25 09:51 marques
* [r9041] README: Some comments on how the files are organized in
libxc
2012-04-17 14:48 micael
* [r9026] src/work_lda.c: * Reverted r9022, as that change is only
valid for exchange functionals.
2012-04-17 09:56 micael
* [r9025] testsuite/xc-get_data.c: * Updated xc-get_data utility to
work with MGGA's.
2012-04-17 08:46 micael
* [r9024] src/gga_c_am05.c, src/gga_c_lm.c, src/gga_c_lyp.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c,
src/gga_c_sogga11.c, src/gga_c_wi.c, src/gga_c_wl.c,
src/gga_k_dk.c, src/gga_k_ol1.c, src/gga_k_ol2.c,
src/gga_k_pearson.c, src/gga_k_tflw.c, src/gga_x_2d_b86.c,
src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c,
src/gga_x_airy.c, src/gga_x_am05.c, src/gga_x_b86.c,
src/gga_x_b86_mgc.c, src/gga_x_b88.c, src/gga_x_bayesian.c,
src/gga_x_c09x.c, src/gga_x_dk87.c, src/gga_x_ft97.c,
src/gga_x_g96.c, src/gga_x_herman.c, src/gga_x_htbs.c,
src/gga_x_kt.c, src/gga_x_lb.c, src/gga_x_lg93.c,
src/gga_x_mpbe.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pbea.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_sogga11.c, src/gga_x_wc.c,
src/gga_xc_1w.c, src/gga_xc_b97.c, src/gga_xc_edf1.c,
src/gga_xc_th.c, src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c: Updated GGA and hybrids thresholds.
2012-04-17 08:45 micael
* [r9023] src/work_lda.c: * Now vxc[is] is zero if rho[is] is below
threshold.
2012-04-17 08:43 micael
* [r9022] src/util.c: * The value of the density is not checked
anymore when calculating zeta, as this should be done outside
this routine.
2012-04-17 08:40 micael
* [r9021] src/lda_c_1d_csc.c, src/lda_c_2d_amgb.c,
src/lda_c_2d_prm.c, src/lda_c_gombas.c, src/lda_c_hl.c,
src/lda_c_ml1.c, src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c,
src/lda_c_vwn.c, src/lda_c_wigner.c, src/lda_k_tf.c, src/lda_x.c,
src/lda_x_1d.c, src/lda_x_2d.c, src/lda_xc_teter93.c: * Updated
thresholds for the LDA functionals.
2012-04-17 08:39 micael
* [r9020] src/mgga_c_tpss.c: * Bug fix: TPSS correlation was
returning NAN's when the density was zero.
2012-03-28 13:22 marques
* [r8943] src/work_gga_becke.c,
testsuite/regression/gga_xc_b97.data.bz2,
testsuite/regression/gga_xc_b97_1.data.bz2,
testsuite/regression/gga_xc_b97_2.data.bz2,
testsuite/regression/gga_xc_b97_3.data.bz2,
testsuite/regression/gga_xc_b97_d.data.bz2,
testsuite/regression/gga_xc_b97_k.data.bz2,
testsuite/regression/gga_xc_hcth_120.data.bz2,
testsuite/regression/gga_xc_hcth_147.data.bz2,
testsuite/regression/gga_xc_hcth_407.data.bz2,
testsuite/regression/gga_xc_hcth_93.data.bz2,
testsuite/regression/gga_xc_sb98_1a.data.bz2,
testsuite/regression/gga_xc_sb98_1b.data.bz2,
testsuite/regression/gga_xc_sb98_1c.data.bz2,
testsuite/regression/gga_xc_sb98_2a.data.bz2,
testsuite/regression/gga_xc_sb98_2b.data.bz2,
testsuite/regression/gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_b97.data.bz2,
testsuite/regression/hyb_gga_xc_b97_1.data.bz2,
testsuite/regression/hyb_gga_xc_b97_2.data.bz2,
testsuite/regression/hyb_gga_xc_b97_3.data.bz2,
testsuite/regression/hyb_gga_xc_b97_k.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1c.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2c.data.bz2: Still one bug
(not the last one, for sure)
2012-03-28 13:07 marques
* [r8942] src/mgga_x_br89.c, src/work_gga_becke.c,
testsuite/regression/gga_x_am05.data.bz2,
testsuite/regression/gga_xc_b97.data.bz2,
testsuite/regression/gga_xc_b97_1.data.bz2,
testsuite/regression/gga_xc_b97_2.data.bz2,
testsuite/regression/gga_xc_b97_3.data.bz2,
testsuite/regression/gga_xc_b97_d.data.bz2,
testsuite/regression/gga_xc_b97_k.data.bz2,
testsuite/regression/gga_xc_hcth_120.data.bz2,
testsuite/regression/gga_xc_hcth_147.data.bz2,
testsuite/regression/gga_xc_hcth_407.data.bz2,
testsuite/regression/gga_xc_hcth_93.data.bz2,
testsuite/regression/gga_xc_sb98_1a.data.bz2,
testsuite/regression/gga_xc_sb98_1b.data.bz2,
testsuite/regression/gga_xc_sb98_1c.data.bz2,
testsuite/regression/gga_xc_sb98_2a.data.bz2,
testsuite/regression/gga_xc_sb98_2b.data.bz2,
testsuite/regression/gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_b97.data.bz2,
testsuite/regression/hyb_gga_xc_b97_1.data.bz2,
testsuite/regression/hyb_gga_xc_b97_2.data.bz2,
testsuite/regression/hyb_gga_xc_b97_3.data.bz2,
testsuite/regression/hyb_gga_xc_b97_k.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1c.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2c.data.bz2,
testsuite/regression/mgga_x_bj06.data.bz2,
testsuite/regression/mgga_x_br89.data.bz2,
testsuite/regression/mgga_x_rpp09.data.bz2,
testsuite/regression/mgga_x_tb09.data.bz2: Solved a couple of
bugs that were leading to NaNs in the values of
functionals
2012-03-27 20:37 dstrubbe
* [r8934] src/get_funcs.pl, testsuite/xc-reset-regression,
testsuite/xc-run_testsuite: Using the more portable /usr/bin/env
for first line of scripts. Most are doing this already.
2012-03-22 15:52 micael
* [r8927] Makefile.am: * Removed DONE file from Makefile.
2012-03-22 15:31 micael
* [r8926] PACKAGING, README: * Updated PACKAGING and README files
2012-03-22 15:30 micael
* [r8925] AUTHORS, DONE, NEWS: * Updated NEWS and AUTHORS files and
removed the very outdated DONE file.
2012-03-22 14:05 marques
* [r8924] ChangeLog: New changelog
2012-03-09 09:32 micael
* [r8911] src/mgga_x_br89.c: * Reverted unintended changed.
2012-03-09 09:30 micael
* [r8910] src/mgga_x_br89.c: * Updated the thresholds for the BJ06
and RPP10 functionals.
2012-02-04 20:50 dstrubbe
* [r8840] README: Two trivial changes.
2012-02-03 18:04 micael
* [r8839] src/gga_c_am05.c, src/gga_c_lm.c, src/gga_c_lyp.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c,
src/gga_c_sogga11.c, src/gga_c_wi.c, src/gga_c_wl.c,
src/gga_k_dk.c, src/gga_k_ol1.c, src/gga_k_ol2.c,
src/gga_k_pearson.c, src/gga_k_tflw.c, src/gga_x_2d_b86.c,
src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c,
src/gga_x_airy.c, src/gga_x_am05.c, src/gga_x_b86.c,
src/gga_x_b86_mgc.c, src/gga_x_b88.c, src/gga_x_bayesian.c,
src/gga_x_c09x.c, src/gga_x_dk87.c, src/gga_x_ft97.c,
src/gga_x_g96.c, src/gga_x_herman.c, src/gga_x_htbs.c,
src/gga_x_kt.c, src/gga_x_lb.c, src/gga_x_lg93.c,
src/gga_x_mpbe.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pbea.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_sogga11.c, src/gga_x_wc.c,
src/gga_xc_1w.c, src/gga_xc_b97.c, src/gga_xc_edf1.c,
src/gga_xc_th.c, src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c, src/lda_c_1d_csc.c, src/lda_c_2d_amgb.c,
src/lda_c_2d_prm.c, src/lda_c_gombas.c, src/lda_c_hl.c,
src/lda_c_ml1.c, src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c,
src/lda_c_vwn.c, src/lda_c_wigner.c, src/lda_k_tf.c, src/lda_x.c,
src/lda_x_1d.c, src/lda_x_2d.c, src/lda_xc_teter93.c,
src/mgga_c_tpss.c, src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c,
src/mgga_x_lta.c, src/mgga_x_m06l.c, src/mgga_x_tau_hcth.c,
src/mgga_x_tpss.c, src/mgga_xc_vsxc.c, src/work_gga_becke.c,
src/work_gga_c.c, src/work_gga_x.c, src/work_lda.c,
src/work_mgga_c.c, src/work_mgga_x.c, src/xc.h: * The thresholds
of the density, density gradient, and kinetic energy density are
now part of the definition of a functional.
The idea is that each functional can have different thresholds,
although at the moment they are the same for all of them.
2012-01-24 18:15 dstrubbe
* [r8800] src: Set svn:ignore for new file funcs_hyb_mgga.c in
libxc.
2012-01-24 10:35 marques
* [r8796] src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c, src/util.h,
src/work_mgga_x.c: Got rid of unelegant vrho0 in the meta-GGAs
2012-01-24 10:29 marques
* [r8795] src/get_funcs.pl, src/mgga.c, src/mgga_x_2d_prhg07.c,
src/mgga_x_br89.c, src/mgga_x_lta.c, src/mgga_x_m06l.c,
src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c, src/mgga_xc_vsxc.c,
src/util.h, src/work_lda.c, src/work_mgga_x.c, src/xc.h: Some
reorganization of the meta-gga code
2012-01-23 14:34 marques
* [r8791] src/gga_c_sogga11.c,
testsuite/regression/gga_c_sogga11.data.bz2,
testsuite/regression/gga_c_sogga11_x.data.bz2: Added the
correlation part of the sogga11-x functional. I just realized
that I have 100 GGA functionals implemented. I am starting to
have problems with the numering ;)
2012-01-23 14:19 marques
* [r8790] src/get_funcs.pl, src/gga_x_sogga11.c,
testsuite/regression/gga_c_apbe.data.bz2,
testsuite/regression/gga_c_rge2.data.bz2,
testsuite/regression/gga_k_pearson.data.bz2,
testsuite/regression/gga_x_c09x.data.bz2,
testsuite/regression/gga_x_sogga11.data.bz2,
testsuite/regression/hyb_gga_x_sogga11_x.data.bz2,
testsuite/regression/lda_c_gombas.data.bz2,
testsuite/regression/lda_x_1d.data.bz2: *) Added the sogga11-x
hybrid (exchange part)
*) cleaned the regression tests. All the failures were related to
change in references or similar stuff
2012-01-09 15:20 marques
* [r8749] src/Makefile.am, src/gga_x_c09x.c: Added the new GGA
functional of Cooper
2011-12-07 02:33 dstrubbe
* [r8667] src/util.h: ifort 12.0 refuses to compile the inline
functions:
/bin/sh ../libtool --tag=CC --mode=link mpicc -O3 -o xc-get_data
xc_get_data-xc-get_data.o -L../src/ -lxc -lm
libtool: link: mpicc -O3 -o xc-get_data xc_get_data-xc-get_data.o
-L/global/home/users/dstrubbe/octopus/libxc/src
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a -lm
/global/software/centos-5.x86_64/modules/intel/composerxe-2011.1.107/lib/intel64/libimf.so:
warning: warning: feupdateenv is not implemented and will always
fail
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a(gga_c_pbe.o):
In function `work_gga_c':
gga_c_pbe.c:(.text+0x3b0): undefined reference to
`xc_lda_c_pw_func'
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a(gga_c_p86.o):
In function `work_gga_c':
gga_c_p86.c:(.text+0x389): undefined reference to
`xc_lda_c_pz_func'
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a(gga_c_pw91.o):
In function `work_gga_c':
gga_c_pw91.c:(.text+0x40b): undefined reference to
`xc_lda_c_pw_func'
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a(gga_c_am05.o):
In function `work_gga_c':
gga_c_am05.c:(.text+0x37a): undefined reference to
`xc_lda_c_pw_func'
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a(gga_c_lm.o):
In function `work_gga_c':
gga_c_lm.c:(.text+0x3cf): undefined reference to
`xc_lda_c_hl_func'
/global/home/users/dstrubbe/octopus/libxc/src/.libs/libxc.a(gga_c_sogga11.o):
In function `work_gga_c':
gga_c_sogga11.c:(.text+0x445): undefined reference to
`xc_lda_c_pw_func'
make[1]: *** [xc-get_data] Error 1
make[1]: Leaving directory
`/global/home/users/dstrubbe/octopus/libxc/testsuite'
make: *** [install-recursive] Error 1
2011-12-06 15:31 marques
* [r8663] src/lda_c_1d_csc.c,
testsuite/regression/lda_c_1d_csc.data.bz2: Added fxc to the CSC
functional
2011-11-30 09:43 fulvio
* [r8643] INSTALL: Reverted accidental changes in INSTALL files
2011-11-29 17:22 fulvio
* [r8642] INSTALL: Included Lorenzo's implementation of jelli slab
+ a small bugfix (thanks to Lorenzo)
2011-11-28 21:15 dstrubbe
* [r8641] src/Makefile.am: Missing dependencies in libxc.
2011-11-19 06:08 xavier
* [r8590] testsuite/xc-regression.c: Removed a C++ style comment.
2011-10-10 13:17 marques
* [r8375] src/special_functions.c: Small bug found by Martin
Persson
2011-09-07 05:40 dstrubbe
* [r8265] m4/fc_integer.m4: On MacOS, directories can be produced
by when the try build fails, and we need to do rm -rf to remove
them.
2011-09-05 07:40 dstrubbe
* [r8260] src/lda_c_gombas.c: Restored proper German title, and
added Wien to publication location for Gombas's book.
2011-09-05 06:18 dstrubbe
* [r8259] src/lda_c_gombas.c: Typo in reference.
2011-09-05 04:47 dstrubbe
* [r8258] src/gga_xc_th.c, src/mgga_c_tpss.c, src/util.h,
src/work_gga_becke.c, src/work_gga_c.c, src/work_mgga_c.c,
src/work_mgga_x.c: More explicit casts and a missing macro call.
2011-09-04 23:32 dstrubbe
* [r8257] src/lda_c_2d_prm.c, src/work_gga_x.c, src/work_lda.c:
Errors in pointer casting that g++ 4.5 will not accept.
2011-08-23 18:55 dstrubbe
* [r8220] src/gga_k_pearson.c, src/lda_x_1d.c: Tobias Burnus' patch
to libxc references.
2011-08-22 14:34 micael
* [r8213] src/gga_c_pbe.c: * Bug fix: some GGA correlations were
tagged as exchange functionals.
2011-07-29 09:46 marques
* [r8124] TODO, src/Makefile.am, src/gga_xc_th.c, src/test.c,
testsuite/regression/gga_c_lm.data.bz2,
testsuite/regression/gga_c_sogga11.data.bz2,
testsuite/regression/gga_c_wi0.data.bz2,
testsuite/regression/gga_x_sogga.data.bz2,
testsuite/regression/gga_x_sogga11.data.bz2,
testsuite/regression/gga_xc_th1.data.bz2,
testsuite/regression/gga_xc_th2.data.bz2,
testsuite/regression/gga_xc_th3.data.bz2,
testsuite/regression/gga_xc_th4.data.bz2,
testsuite/regression/gga_xc_th_fc.data.bz2,
testsuite/regression/gga_xc_th_fcfo.data.bz2,
testsuite/regression/gga_xc_th_fco.data.bz2,
testsuite/regression/gga_xc_th_fl.data.bz2,
testsuite/xc-reference.pl: Added the TH family of xc functionals.
Updated the regression tests.
2011-07-28 19:19 xavier
* [r8120] src/xc.h: Fixed a comment.
2011-07-28 12:38 marques
* [r8119] src/gga_c_lm.c: Added the spin-polarized version of the
LM functional
2011-07-26 10:00 marques
* [r8111] src/gga_c_wi.c: Added another version of the WI
functional
2011-07-25 12:37 marques
* [r8108] src/gga.c, src/gga_x_kt.c, src/gga_xc_1w.c,
src/gga_xc_edf1.c, src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c, src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c:
Some changes for libxc to compile in single precision. Thanks
Alberto.
2011-07-23 16:49 marques
* [r8106] src/work_gga_becke.c: Sorry, bad fix last time
2011-07-23 16:41 marques
* [r8105] src/gga_c_sogga11.c, src/gga_x_sogga11.c,
src/gga_xc_edf1.c, src/work_gga_becke.c: Bug fix: becke gga c
functionals were wrong when called with a list of values. Thanks
to Damien Caliste.
2011-07-21 12:25 marques
* [r8104] src/Makefile.am, src/gga_c_sogga11.c,
testsuite/regression/gga_c_sogga11.data.bz2: Added the
correlation part of the SOGGA11 functional
2011-07-20 10:23 xavier
* [r8100] testsuite/Makefile.am, testsuite/xc-run_testsuite: Now
the libxc testsuite works with VPATHs. (But I get FAILs in most
tests).
2011-07-20 10:03 xavier
* [r8099] src/gga_x_sogga11.c: This should fix the libxc
compilation issue.
2011-07-20 08:56 marques
* [r8098] src/Makefile.am, src/gga_x_sogga11.c, src/util.h,
testsuite/regression/gga_x_sogga11.data.bz2: Added a new
functional, SOGGA11 (in press). I check this functional against
the reference implementation of Truhlar (that was very badly
programmed, and impossible to compile)
2011-07-19 23:13 dstrubbe
* [r8095] src, testsuite: Set svn:ignore for new generated files in
libxc.
2011-07-19 11:41 marques
* [r8092] TODO, src/gga_x_rpbe.c, src/gga_xc_edf1.c, src/util.h,
src/xc.h, testsuite/regression/gga_x_optpbe_vdw.data.bz2,
testsuite/regression/gga_x_rpbe.data.bz2,
testsuite/regression/gga_x_sogga.data.bz2,
testsuite/regression/gga_xc_mohlyp.data.bz2,
testsuite/regression/gga_xc_mohlyp2.data.bz2: Added the SOGGA
functional
Changed the precision of RPBE. Now it uses the same constants as
PBE
Fixed a serious bug in optpbe_vdw
2011-07-17 18:48 marques
* [r8084] src/gga_x_optx.c, src/gga_xc_edf1.c, src/util.h,
src/xc.h: Added two new functionals, MOHLYP and MOHLYP2
2011-07-16 18:51 xavier
* [r8079] testsuite/Makefile.am: This fixes libxc compilation with
VPATH.
2011-07-15 12:39 marques
* [r8078] testsuite/regression/lca_lch.data.bz2,
testsuite/regression/lca_omc.data.bz2, testsuite/xc-regression.c,
testsuite/xc-reset-regression, testsuite/xc-run_testsuite: Now
make check actually does something interesting and meaninful
2011-07-15 12:18 marques
* [r8077] ChangeLog, src/Makefile.am, src/get_funcs.pl, src/lca.c,
src/lca_lch.c, src/lca_omc.c, src/lda_c_2d_prm.c, src/util.h,
src/xc.h, src/xc_f.c, testsuite/Makefile.am,
testsuite/regression, testsuite/regression/gga_c_am05.data.bz2,
testsuite/regression/gga_c_apbe.data.bz2,
testsuite/regression/gga_c_lm.data.bz2,
testsuite/regression/gga_c_lyp.data.bz2,
testsuite/regression/gga_c_p86.data.bz2,
testsuite/regression/gga_c_pbe.data.bz2,
testsuite/regression/gga_c_pbe_jrgx.data.bz2,
testsuite/regression/gga_c_pbe_sol.data.bz2,
testsuite/regression/gga_c_pw91.data.bz2,
testsuite/regression/gga_c_rge2.data.bz2,
testsuite/regression/gga_c_wi.data.bz2,
testsuite/regression/gga_c_wl.data.bz2,
testsuite/regression/gga_c_xpbe.data.bz2,
testsuite/regression/gga_k_absr1.data.bz2,
testsuite/regression/gga_k_absr2.data.bz2,
testsuite/regression/gga_k_apbe.data.bz2,
testsuite/regression/gga_k_baltin.data.bz2,
testsuite/regression/gga_k_dk.data.bz2,
testsuite/regression/gga_k_ernzerhof.data.bz2,
testsuite/regression/gga_k_fr_b88.data.bz2,
testsuite/regression/gga_k_fr_pw86.data.bz2,
testsuite/regression/gga_k_ge2.data.bz2,
testsuite/regression/gga_k_golden.data.bz2,
testsuite/regression/gga_k_gp85.data.bz2,
testsuite/regression/gga_k_gr.data.bz2,
testsuite/regression/gga_k_lc94.data.bz2,
testsuite/regression/gga_k_lieb.data.bz2,
testsuite/regression/gga_k_llp.data.bz2,
testsuite/regression/gga_k_ludena.data.bz2,
testsuite/regression/gga_k_ol1.data.bz2,
testsuite/regression/gga_k_ol2.data.bz2,
testsuite/regression/gga_k_pearson.data.bz2,
testsuite/regression/gga_k_perdew.data.bz2,
testsuite/regression/gga_k_thakkar.data.bz2,
testsuite/regression/gga_k_tw1.data.bz2,
testsuite/regression/gga_k_tw2.data.bz2,
testsuite/regression/gga_k_tw3.data.bz2,
testsuite/regression/gga_k_tw4.data.bz2,
testsuite/regression/gga_k_vjks.data.bz2,
testsuite/regression/gga_k_vsk.data.bz2,
testsuite/regression/gga_k_vw.data.bz2,
testsuite/regression/gga_k_yt65.data.bz2,
testsuite/regression/gga_x_2d_b86.data.bz2,
testsuite/regression/gga_x_2d_b86_mgc.data.bz2,
testsuite/regression/gga_x_2d_b88.data.bz2,
testsuite/regression/gga_x_2d_pbe.data.bz2,
testsuite/regression/gga_x_airy.data.bz2,
testsuite/regression/gga_x_am05.data.bz2,
testsuite/regression/gga_x_apbe.data.bz2,
testsuite/regression/gga_x_b86.data.bz2,
testsuite/regression/gga_x_b86_mgc.data.bz2,
testsuite/regression/gga_x_b88.data.bz2,
testsuite/regression/gga_x_bayesian.data.bz2,
testsuite/regression/gga_x_dk87_r1.data.bz2,
testsuite/regression/gga_x_dk87_r2.data.bz2,
testsuite/regression/gga_x_ft97_a.data.bz2,
testsuite/regression/gga_x_ft97_b.data.bz2,
testsuite/regression/gga_x_g96.data.bz2,
testsuite/regression/gga_x_herman.data.bz2,
testsuite/regression/gga_x_htbs.data.bz2,
testsuite/regression/gga_x_kt1.data.bz2,
testsuite/regression/gga_x_lag.data.bz2,
testsuite/regression/gga_x_lb.data.bz2,
testsuite/regression/gga_x_lbm.data.bz2,
testsuite/regression/gga_x_lg93.data.bz2,
testsuite/regression/gga_x_mb88.data.bz2,
testsuite/regression/gga_x_mpbe.data.bz2,
testsuite/regression/gga_x_mpw91.data.bz2,
testsuite/regression/gga_x_ol2.data.bz2,
testsuite/regression/gga_x_optb88_vdw.data.bz2,
testsuite/regression/gga_x_optpbe_vdw.data.bz2,
testsuite/regression/gga_x_optx.data.bz2,
testsuite/regression/gga_x_pbe.data.bz2,
testsuite/regression/gga_x_pbe_jsjr.data.bz2,
testsuite/regression/gga_x_pbe_r.data.bz2,
testsuite/regression/gga_x_pbe_sol.data.bz2,
testsuite/regression/gga_x_pbea.data.bz2,
testsuite/regression/gga_x_pbek1_vdw.data.bz2,
testsuite/regression/gga_x_pw86.data.bz2,
testsuite/regression/gga_x_pw91.data.bz2,
testsuite/regression/gga_x_rge2.data.bz2,
testsuite/regression/gga_x_rpbe.data.bz2,
testsuite/regression/gga_x_rpw86.data.bz2,
testsuite/regression/gga_x_wc.data.bz2,
testsuite/regression/gga_x_xpbe.data.bz2,
testsuite/regression/gga_xc_b97.data.bz2,
testsuite/regression/gga_xc_b97_1.data.bz2,
testsuite/regression/gga_xc_b97_2.data.bz2,
testsuite/regression/gga_xc_b97_3.data.bz2,
testsuite/regression/gga_xc_b97_d.data.bz2,
testsuite/regression/gga_xc_b97_k.data.bz2,
testsuite/regression/gga_xc_edf1.data.bz2,
testsuite/regression/gga_xc_hcth_120.data.bz2,
testsuite/regression/gga_xc_hcth_147.data.bz2,
testsuite/regression/gga_xc_hcth_407.data.bz2,
testsuite/regression/gga_xc_hcth_93.data.bz2,
testsuite/regression/gga_xc_kt2.data.bz2,
testsuite/regression/gga_xc_mpwlyp1w.data.bz2,
testsuite/regression/gga_xc_pbe1w.data.bz2,
testsuite/regression/gga_xc_pbelyp1w.data.bz2,
testsuite/regression/gga_xc_sb98_1a.data.bz2,
testsuite/regression/gga_xc_sb98_1b.data.bz2,
testsuite/regression/gga_xc_sb98_1c.data.bz2,
testsuite/regression/gga_xc_sb98_2a.data.bz2,
testsuite/regression/gga_xc_sb98_2b.data.bz2,
testsuite/regression/gga_xc_sb98_2c.data.bz2,
testsuite/regression/gga_xc_xlyp.data.bz2,
testsuite/regression/hyb_gga_xc_b1lyp.data.bz2,
testsuite/regression/hyb_gga_xc_b1pw91.data.bz2,
testsuite/regression/hyb_gga_xc_b1wc.data.bz2,
testsuite/regression/hyb_gga_xc_b3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_b3p86.data.bz2,
testsuite/regression/hyb_gga_xc_b3pw91.data.bz2,
testsuite/regression/hyb_gga_xc_b97.data.bz2,
testsuite/regression/hyb_gga_xc_b97_1.data.bz2,
testsuite/regression/hyb_gga_xc_b97_2.data.bz2,
testsuite/regression/hyb_gga_xc_b97_3.data.bz2,
testsuite/regression/hyb_gga_xc_b97_k.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1k.data.bz2,
testsuite/regression/hyb_gga_xc_mpw1pw.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_mpw3pw.data.bz2,
testsuite/regression/hyb_gga_xc_o3lyp.data.bz2,
testsuite/regression/hyb_gga_xc_pbeh.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_1c.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2a.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2b.data.bz2,
testsuite/regression/hyb_gga_xc_sb98_2c.data.bz2,
testsuite/regression/hyb_gga_xc_x3lyp.data.bz2,
testsuite/regression/lca_lch.data.bz2,
testsuite/regression/lca_omc.data.bz2,
testsuite/regression/lda_c_1d_csc.data.bz2,
testsuite/regression/lda_c_2d_amgb.data.bz2,
testsuite/regression/lda_c_2d_prm.data.bz2,
testsuite/regression/lda_c_gl.data.bz2,
testsuite/regression/lda_c_gombas.data.bz2,
testsuite/regression/lda_c_hl.data.bz2,
testsuite/regression/lda_c_ml1.data.bz2,
testsuite/regression/lda_c_ml2.data.bz2,
testsuite/regression/lda_c_ob_pw.data.bz2,
testsuite/regression/lda_c_ob_pz.data.bz2,
testsuite/regression/lda_c_pw.data.bz2,
testsuite/regression/lda_c_pw_mod.data.bz2,
testsuite/regression/lda_c_pw_rpa.data.bz2,
testsuite/regression/lda_c_pz.data.bz2,
testsuite/regression/lda_c_pz_mod.data.bz2,
testsuite/regression/lda_c_rpa.data.bz2,
testsuite/regression/lda_c_vbh.data.bz2,
testsuite/regression/lda_c_vwn.data.bz2,
testsuite/regression/lda_c_vwn_rpa.data.bz2,
testsuite/regression/lda_c_wigner.data.bz2,
testsuite/regression/lda_c_xalpha.data.bz2,
testsuite/regression/lda_k_lp.data.bz2,
testsuite/regression/lda_k_tf.data.bz2,
testsuite/regression/lda_x.data.bz2,
testsuite/regression/lda_x_1d.data.bz2,
testsuite/regression/lda_x_2d.data.bz2,
testsuite/regression/lda_xc_teter93.data.bz2,
testsuite/regression/mgga_c_tpss.data.bz2,
testsuite/regression/mgga_c_vsxc.data.bz2,
testsuite/regression/mgga_x_2d_prhg07.data.bz2,
testsuite/regression/mgga_x_2d_prhg07_prp10.data.bz2,
testsuite/regression/mgga_x_bj06.data.bz2,
testsuite/regression/mgga_x_br89.data.bz2,
testsuite/regression/mgga_x_gvt4.data.bz2,
testsuite/regression/mgga_x_lta.data.bz2,
testsuite/regression/mgga_x_m06l.data.bz2,
testsuite/regression/mgga_x_rpp09.data.bz2,
testsuite/regression/mgga_x_tau_hcth.data.bz2,
testsuite/regression/mgga_x_tb09.data.bz2,
testsuite/regression/mgga_x_tpss.data.bz2,
testsuite/xc-run_testsuite: Deleted the LCA that was broken and
unused for years
Created files intended for regression test (coming soon)
2011-07-15 08:48 marques
* [r8076] testsuite/df_repo, testsuite/df_repo/gga_c_lyp.data,
testsuite/df_repo/gga_c_p86.data,
testsuite/df_repo/gga_c_pbe.data,
testsuite/df_repo/gga_c_pw91.data,
testsuite/df_repo/gga_x_b88.data,
testsuite/df_repo/gga_x_ft97_b.data,
testsuite/df_repo/gga_x_pbe.data,
testsuite/df_repo/gga_x_pw91.data,
testsuite/df_repo/gga_xc_b97.data,
testsuite/df_repo/gga_xc_b97_1.data,
testsuite/df_repo/gga_xc_b97_2.data,
testsuite/df_repo/gga_xc_edf1.data,
testsuite/df_repo/gga_xc_hcth_120.data,
testsuite/df_repo/gga_xc_hcth_147.data,
testsuite/df_repo/gga_xc_hcth_407.data,
testsuite/df_repo/gga_xc_hcth_93.data,
testsuite/df_repo/hyb_gga_xc_b3lyp.data,
testsuite/df_repo/lda_c_pw.data, testsuite/df_repo/lda_c_pz.data,
testsuite/df_repo/lda_c_vwn.data,
testsuite/df_repo/lda_c_vwn_rpa.data,
testsuite/df_repo/lda_x.data, testsuite/gga_c_lyp.data,
testsuite/gga_c_p86.data, testsuite/gga_c_pbe.data,
testsuite/gga_c_pw91.data, testsuite/gga_x_b88.data,
testsuite/gga_x_ft97_b.data, testsuite/gga_x_pbe.data,
testsuite/gga_x_pw91.data, testsuite/gga_xc_b97.data,
testsuite/gga_xc_b97_1.data, testsuite/gga_xc_b97_2.data,
testsuite/gga_xc_edf1.data, testsuite/gga_xc_hcth_120.data,
testsuite/gga_xc_hcth_147.data, testsuite/gga_xc_hcth_407.data,
testsuite/gga_xc_hcth_93.data, testsuite/hyb_gga_xc_b3lyp.data,
testsuite/lda_c_pw.data, testsuite/lda_c_pz.data,
testsuite/lda_c_vwn.data, testsuite/lda_c_vwn_rpa.data,
testsuite/lda_x.data: Moved data from the df repository to its
own directory
2011-07-15 08:46 marques
* [r8075] src/gga_k_dk.c, src/gga_k_ol1.c, src/gga_k_ol2.c,
src/gga_k_pearson.c, src/gga_k_tflw.c, src/gga_x_2d_b86.c,
src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c,
src/gga_x_airy.c, src/gga_x_am05.c, src/gga_x_b86.c,
src/gga_x_b86_mgc.c, src/gga_x_b88.c, src/gga_x_bayesian.c,
src/gga_x_dk87.c, src/gga_x_ft97.c, src/gga_x_g96.c,
src/gga_x_herman.c, src/gga_x_htbs.c, src/gga_x_lg93.c,
src/gga_x_mpbe.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pbea.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_wc.c, src/mgga_x_m06l.c, src/util.h,
src/work_gga_x.c: Removed an unused limit
2011-07-13 14:04 marques
* [r8073] src/gga_x_b88.c: Big bug in B88 solved
2011-07-13 13:35 marques
* [r8072] src/hyb_gga_xc_b1wc.c: Deleted wrong calls to
vwn_set_param
2011-07-13 13:25 marques
* [r8071] src/Makefile.am, src/gga_perdew.c, src/util.h: Removed
the framework of perdew functionals. This is now handled by more
generic routines
2011-07-13 13:23 marques
* [r8070] src/gga_c_pw91.c, src/test.c: Converted PW91 to the new
framework and implemented fxc
2011-07-04 13:34 marques
* [r8057] src/gga_c_lyp.c, src/gga_c_pbe.c, src/gga_k_ol2.c,
src/gga_x_2d_b88.c, src/gga_x_airy.c, src/lda_x_1d.c,
src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c, src/test.c,
src/util.h, src/work_gga_x.c: Moved the gga_c_pbe to the new
framework.
Cleaned several unused variables
2011-06-29 14:06 marques
* [r8054] src/gga_c_p86.c: A couple of bugs corrected. Now it gives
the same as the reference.
2011-06-29 09:04 marques
* [r8053] src/gga_c_p86.c: Converted P86 to new framework and
implemented second derivatives. It is funny to see the
discontinuity of PZ propagated to poles in fxc ;((
2011-06-24 13:42 marques
* [r8051] src/gga_c_am05.c, testsuite/xc-consistency.c,
testsuite/xc-get_data.c: Fixed bug in AM05. It took me 4 hours to
find this stupif thing!
2011-06-24 10:20 marques
* [r8050] src/lda_c_pw.c: This should solve the segfault in PW
2011-06-22 13:19 marques
* [r8049] src/functionals.c, src/get_funcs.pl, src/test.c,
src/util.c, src/util.h, src/xc.h: Added two new helper functions,
functional_get_number and functional_get_name that return the
number or the name of the functional given the other.
2011-06-22 10:31 marques
* [r8048] src/work_gga_x.c, src/work_mgga_x.c: Fixed NaN for zero
gradients. Thanks to Xavier Gonze.
2011-06-22 09:03 marques
* [r8047] src/gga_x_airy.c, src/lda_c_pw.c, src/test.c: Added new
functional, the PW parametrization of the RPA energy
2011-06-22 08:31 marques
* [r8046] src/gga_x_airy.c: New exchange functional, the Local Airy
Gas
2011-06-22 08:20 marques
* [r8045] src/Makefile.am, src/gga_x_airy.c: Added new exchange
functional based on the Airy gas
2011-06-21 13:45 marques
* [r8042] TODO, src/gga_x_pbe.c: Changed the precision in one
constant in the PBE functional. Thank you to Gian-Marco for
finding this one
2011-06-10 09:16 marques
* [r8010] src/gga_x_2d_pbe.c, src/work_gga_c.c: Bug corrected
(thanks David). The results seemed to be correct any way, but my
mere chance.
2011-06-09 11:35 marques
* [r7997] src/gga_x_wc.c, src/lda_c_pz.c: Sorry, forgot to submit
this file
2011-06-09 10:13 marques
* [r7996] src/Makefile.am, src/gga_x_htbs.c, src/gga_x_pbe.c,
src/gga_x_rpbe.c, src/util.h: Added new GGA x functional HTBS
2011-06-08 15:09 marques
* [r7995] src/gga_k_dk.c: I believe that there was a ff factor
missing. Can you check it Micael?
2011-06-07 12:47 xavier
* [r7986] src/lda_c_pw.c: Another fix for libxc and xlc. Now it
should compile.
2011-06-07 12:30 xavier
* [r7985] src/lda_c_hl.c: It seems that xlc doesn't like to call an
static function from an
inline one.
2011-06-01 13:46 marques
* [r7964] src/gga_xc_1w.c, src/gga_xc_edf1.c,
src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_o3lyp.c, src/test.c: Several functionals that
denpended on LYP have now also fxc
2011-06-01 13:42 marques
* [r7963] src/gga_c_lyp.c, src/work_gga_c.c: LYP now has fxc.
2011-05-30 14:04 marques
* [r7953] src/gga_c_am05.c, src/gga_c_lm.c, src/lda_c_hl.c,
src/test.c, src/util.h: Langreth and Mehl converted to new
framework
2011-05-30 13:06 marques
* [r7952] src/test.c, src/work_gga_c.c: Several bugs corrected and
code simplified. Now it really seems to work (fingers crossed)
2011-05-27 15:28 marques
* [r7949] src/test.c, src/work_gga_c.c: Sopke too soon ;) v2sigma2
is fine, but v2rhosigma still has a bug for some spins...
2011-05-27 13:56 marques
* [r7948] src/gga_c_am05.c, src/gga_c_wl.c: Sorry, left some debug
stuff around
2011-05-27 13:55 marques
* [r7947] src/gga_c_am05.c, src/gga_c_wl.c, src/lda_c_pw.c,
src/test.c, src/util.h, src/work_gga_c.c, src/xc_f.c: Second
derivatives are now working for AM05 and WL. I will still spend
some time trying to simplify the code.
2011-05-18 08:10 micael
* [r7907] src/gga_k_dk.c: * Bug fix: corrected the parameters of
two KED functionals.
2011-05-13 02:30 xavier
* [r7897] configure.ac: Updated the versions for trunk, octopus
nocturnus, and, libxc diurnus.
2011-05-12 15:57 xavier
* [r7882] src/gga_x_lb.c, src/libxc_master.F90, src/xc.h: Libxc now
defines XC_GGA_XC_LB to point to XC_GGA_X_LB. This keeps
compatibility.
2011-05-11 12:46 marques
* [r7864] src/gga_x_b88.c: Added the Thakkar approximation to the
kinetic energy density. I believe that this concludes the GGAs
for tau (at least I do not have any further on my list)
2011-05-11 10:19 marques
* [r7863] src/gga_x_b86.c, src/gga_x_pbe.c: The 4 versions of the
PBE for kinetics by Tran and Wesolowski
2011-05-11 10:01 marques
* [r7862] src/gga_x_pbe.c: Small bug corrected
2011-05-11 09:57 marques
* [r7861] src/gga_c_pbe.c: The correlation version of the previous
functional
2011-05-11 09:17 marques
* [r7860] src/gga_x_pbe.c: Added the APBE functional (both X and K,
I will implement C now)
2011-05-01 01:17 xavier
* [r7828] src/gga_c_am05.c, src/gga_c_lm.c, src/gga_c_pw91.c:
Missing deallocations in libxc.
2011-05-01 00:07 xavier
* [r7827] src/gga_c_pbe.c: The destructor of the gga_c_pbe
functional was missing.
2011-04-21 13:26 marques
* [r7740] src/gga_c_lyp.c: An unused variable was left behind.
Thanks David.
2011-04-20 20:04 marques
* [r7734] src/Makefile.am: Sorry for the mess. Let's see if it
compiles now.
2011-04-20 14:04 marques
* [r7732] src/gga_x_b88.c: Sorry forgot two "M"
2011-04-20 14:02 marques
* [r7731] src/Makefile.am, src/gga_x_b88.c, src/mgga_c_tpss.c,
src/test.c, src/work_gga_c.c: New functional, a modified Becke 88
for proton transfer reactions.
2011-04-18 14:18 micael
* [r7721] src/gga_x_b88.c: * Two functionals had the same
identifier.
2011-04-16 19:12 micael
* [r7712] src/gga_c_am05.c: * Fixed AM05 correlation for very small
densities.
2011-04-15 10:06 marques
* [r7708] src/gga_c_lyp.c, src/work_gga_c.c: Also v2rho2 is well
calculated in spin polarized mode. Now it is only missing
v2sigma2 and v2rhosigma
2011-04-01 09:42 marques
* [r7660] src/gga_k_tflw.c: Now the VW term is defined withour the
TF part as requested by Micael
2011-04-01 08:59 marques
* [r7659] src/gga_x_pw91.c: Sorry I had left some bugs around
2011-04-01 08:57 marques
* [r7658] src/gga_x_pw91.c: Added the kinetic counterpart of PW91
2011-03-31 15:22 marques
* [r7654] src/gga_k_dk.c: Another bunch of functionals for the
kinetic energy. These ones are all absed on a Pade approximant.
2011-03-30 13:02 marques
* [r7648] src/Makefile.am, src/gga_k_dk.c: Added the dePristo and
Kress GGA for the kinetic energy density
2011-03-30 12:17 marques
* [r7647] src/gga_k_ol2.c: Bug fix in K_OL2. The formula was not
correct.
Added the functional X_OL2, but I have very strong reasons to
believe that the formula in the paper is wrong.
2011-03-28 16:15 micael
* [r7636] src/gga_k_tflw.c: * The lambda parameter in the TflW
functionals was not set correctly.
2011-03-28 15:30 micael
* [r7634] src/gga_x_pw86.c: * Another KED functional that was
labeled as exchange.
2011-03-28 15:06 micael
* [r7630] src/gga_x_b88.c: * A couple of KED functionals were
labeled as exchange functionals.
2011-03-28 15:02 marques
* [r7629] src/Makefile.am, src/gga_x_lb.c, src/gga_xc_lb.c: Rename
the LB functional as "exchange", otherwise octopus can not sum
the PW92 correlation to it.
Added a modified LB potential by the Amsterdam group
2011-03-27 05:10 dstrubbe
* [r7627] src/gga_x_pw86.c, src/lda_k_tf.c, src/work_gga_x.c: Fixed
typos and funny characters in libxc.
2011-03-25 13:23 marques
* [r7616] src/gga_x_pw86.c: An assert was wrong
2011-03-25 13:23 marques
* [r7615] src/gga_c_wl.c, src/gga_x_pw86.c: Added a kinetic version
of the PW86 exchange functional
2011-03-25 13:05 marques
* [r7614] src/gga_x_b88.c: Sorry, a factor was wrong
2011-03-25 13:04 marques
* [r7613] src/gga_x_b88.c: Another version of becke 88 for the
kinetic energy density
2011-03-25 11:30 marques
* [r7612] src/work_gga_x.c: Bug fix: in the case of the kinetic
energy density, I was using the wrong power in the definition of
x. It should always be 4/3 and not 5/3
2011-03-24 14:14 marques
* [r7605] src/lda_k_tf.c: Added a new LDA functional for the
kinetic energy
2011-03-24 13:24 marques
* [r7604] src/util.h, src/work_gga_x.c: Again problems with the
pre-factors. Hopefully this way of doing things is a bit more
robust.
2011-03-24 11:01 marques
* [r7603] src/Makefile.am, src/gga_k_ol1.c, src/gga_k_ol2.c,
src/gga_k_pearson.c, src/gga_x_b88.c, src/util.h: Two more
kinetic functionals OL1 and OL2
Fixed one reference (thanks Tobias)
2011-03-24 08:46 marques
* [r7602] src/gga_k_tflw.c, src/gga_x_b88.c: Yes, you were right
Tobias. Thanks.
2011-03-23 14:33 marques
* [r7599] src/Makefile.am, src/gga_k_llp.c, src/gga_k_pearson.c,
src/gga_k_tflw.c, src/gga_x_b88.c, src/work_gga_x.c: Now the LLP
kinetic functional shares the same routine as B88
2011-03-23 14:11 marques
* [r7598] src/Makefile.am, src/gga_k_ge2.c, src/gga_k_llp.c,
src/gga_k_pearson.c, src/gga_k_tflw.c, src/lda_k_tf.c,
src/util.h, src/xc.h: Added a bunch of functionals of the form
gamma T_TF + lambda T_vW
2011-03-22 16:09 marques
* [r7591] src/gga_k_ge2.c, src/util.h: Sorry, forgot an } and had
an error in a comment
2011-03-22 16:00 marques
* [r7590] src/gga_k_ge2.c, src/util.h: Corrected the value of
K_FACTOR_C to the correct spin-polarized and including the factor
of 2 from our definition of tau.
Added the von Weiszaecker functional
2011-03-21 15:45 marques
* [r7589] src/Makefile.am, src/gga_k_llp.c: New kinetic energy GGA
(actually the first of all), the Lee, Lee and Parr functional
2011-03-18 15:15 micael
* [r7574] src/lda_k_tf.c: * Now I think the constant in the
Thomas-Fermi functional is finally correct.
2011-03-18 10:24 micael
* [r7573] src/lda_k_tf.c, src/libxc_master.F90: * A constant was
wrong in the Thomas-Fermi kinetic energy functional.
* Definition of XC_KINETIC was missing from libxc_master.F90.
2011-03-03 13:23 marques
* [r7534] src/Makefile.am, src/gga_x_herman.c: Added a very simple
exchange functional, the Herman X\alpha\beta functional. This is
perhaps the first GGA for the exhange
2011-03-02 12:42 marques
* [r7522] src/gga_c_lyp.c, src/test.c: I rewrote lyp to the new
framework. Now the file is half the size as before, and it will
be easy to get the second derivatives.
2011-03-02 12:42 marques
* [r7521] src/gga_x_b86.c: There was a problem in the b86
functional. First, what I called b86_r was in fact b86. Then my
b86 had a wrong coefficient. So I deleted b86_r and rewrote in a
clearer way b86.
2011-03-02 12:41 marques
* [r7520] src/util.c: Some programs pass negative densities to
libxc. This commit should fix many of the functionals in this
case.
2011-02-28 11:11 marques
* [r7508] src/Makefile.am, src/gga_c_wi.c: Added a new GGA
correlation functional: Wilson and Ivanov. Note that this
functional only has a spin-unpolarized version
2011-02-24 15:26 marques
* [r7494] src/Makefile.am, src/lda_c_gombas.c, src/lda_c_ml1.c,
src/lda_c_pz.c, src/lda_c_rpa.c, src/lda_x.c: *) Added the Gombas
interpolation of the correlation energy
*) Corrected a numerical coefficient in the RPA functional
*) A factor of 1/2 was missing in the ML functional
2011-02-23 10:29 marques
* [r7491] src/work_gga_c.c: Sorry, just realized that I used //
comments...
2011-02-23 10:28 marques
* [r7490] src/Makefile.am, src/gga_c_wl.c, src/work_gga_c.c: Added
a new GGA functional (WL) and more importantly, added a new
framework for GGA correlations. Most GGA correlations will be
adapted to this new framework in the future. Note: the second
derivatives in the spin polarized case are still missing.
2011-02-18 11:33 xavier
* [r7480] Makefile.am: An attempt to fix the libxc problem in
nowii.
2011-02-17 13:10 marques
* [r7472] configure.ac, src/gga_c_am05.c, src/gga_c_lm.c,
src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pw91.c,
src/gga_perdew.c, src/gga_x_2d_b88.c, src/gga_x_am05.c,
src/gga_x_b88.c, src/gga_x_ft97.c, src/gga_x_g96.c,
src/gga_x_kt.c, src/gga_x_pw91.c, src/gga_xc_lb.c,
src/integrate.c, src/lca.c, src/lca_omc.c, src/lda_c_2d_amgb.c,
src/lda_c_2d_prm.c, src/lda_c_ml1.c, src/lda_c_vwn.c,
src/lda_k_tf.c, src/lda_x.c, src/lda_x_2d.c, src/mgga_c_tpss.c,
src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c, src/mgga_x_tpss.c,
src/util.c, src/util.h, src/work_gga_becke.c, src/work_gga_x.c,
src/work_lda.c, src/work_mgga_c.c, src/work_mgga_x.c,
src/xc_config.h: Patch by Janne.Blomqvist@tkk.fi:
The attached patch does some minor optimizations and cleanups,
mostly
replacing usage of pow() with cbrt() as pow() can be somewhat
expensive.
- Add tests for sqrtf, cbrtf, cbrt in configure.ac
- Add SQRT and CBRT macros to xc_config.h
- pow => POW if argument is FLOAT
- sqrt => SQRT if argument is FLOAT
- cbrt => CBRT
- POW(x, 1.0/3.0) => CBRT(x)
- POW(x, -1.0/3.0) => 1.0/CBRT(x)
- POW(x, 1.0/2.0) => SQRT(x)
- POX(x, -1.0/2.0) => 1.0/SQRT(x)
- POW(x, 1.0/4.0) => SQRT(SQRT(x))
- sqrt(2.0) => M_SQRT2
Some of the pow(x,y) optimizations above can be done
automatically by
the compiler if one enables -ffast-math (or equivalent) but due
to
different corner-case behavior the compiler cannot enable them
otherwise (e.g. sqrt(-0.0) == -0.0 != pow(-0.0, 1.0/2.0) ==
+0.0). See
e.g.
http://gcc.gnu.org/bugzilla/show_bug.cgi?id=25620
http://gcc.gnu.org/bugzilla/show_bug.cgi?id=43419
http://gcc.gnu.org/bugzilla/show_bug.cgi?id=42694
http://gcc.gnu.org/bugzilla/show_bug.cgi?id=28252
I ran the testsuite, and while I did get some failures I also got
exactly the same failures with the trunk, so as far as the
testsuite
is concerned the patch does not affect the numerics in any way.
2011-02-14 13:12 marques
* [r7457] src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c: Flag XC_FLAGS_3D was missing from the
hybrid functionals
2011-02-02 13:14 marques
* [r7395] src/mgga_x_br89.c: Some debug lines were forgotten...
2011-02-02 00:37 dstrubbe
* [r7389] src/gga.c, src/lda.c, src/mgga.c: Corrected typos.
2011-01-25 12:59 marques
* [r7330] src/util.c, src/util.h: There was still one inline left.
This seems to be the source of the confusion of the xlc
compiler...
2011-01-25 12:49 marques
* [r7329] src/util.c, src/util.h: Tried to remove inline to see if
nowii compiles libxc
2011-01-25 12:45 marques
* [r7328] src/Makefile.am, src/mgga.c, src/mgga_x_br89.c,
src/test.c, src/work_mgga_x.c: *) changed the order of files in
makefile.am to see if it helps with nowii
*) Added fxc for the BR functional
2011-01-19 23:21 xavier
* [r7288] configure.ac: Changed the macro used to initialize libxc
so it works with old
libtool versions.
2011-01-18 20:46 dstrubbe
* [r7286] src/gga_k_tflw.c, src/util.h: Fixed PGI compilation error
via missing prototype.
PGC-S-0043-Redefinition of symbol, xc_gga_k_tflw_set_params_
(gga_k_tflw.c: 55)
2011-01-18 19:39 dstrubbe
* [r7285] src/Makefile.am, src/gga_k_tflw.c: * Added hyphen,
changed m-dash to hyphen (for page numbers) which could render
strangely.
* The new file was missing .c in the Makefile.
2011-01-18 15:34 marques
* [r7284] src/Makefile.am, src/gga_k_pearson.c: Another kinetic
energy functional
2011-01-18 15:13 marques
* [r7283] src/Makefile.am, src/gga_k_tflw.c: Added a new kinetic
energy functional
2011-01-16 05:52 xavier
* [r7278] src/lda_xc_teter93.c, src/work_lda.c: Some optimization
for lda_xc_teter93.
2011-01-16 04:18 xavier
* [r7277] src/lda_xc_teter93.c, src/util.c, src/util.h: Some
optimizations for libxc:
* Defined a faster function calculate to f(z). It calculates all
the
required derivatives at once, and avoids the calculation if the
system
is unpolarized.
* The new function is used by the lda_xc_teter93 functional.
2011-01-02 04:53 xavier
* [r7218] configure.ac: By default libxc is now compiled
statically. This will probably save a
lot of problems for users (and for us).
2010-12-16 14:01 marques
* [r7191] src/libxc_master.F90: Had a misplaced ';'
2010-12-16 13:47 marques
* [r7190] src/gga.c, src/libxc_master.F90, src/mgga.c,
src/mgga_c_tpss.c, src/test.c, src/work_mgga_c.c,
src/work_mgga_x.c, src/xc.h, src/xc_f.c: Finished the interface
for the fxcs in the meta-ggas. Moreover, I think now that the
TPSS exchange fxc is correct.
2010-12-15 16:19 marques
* [r7180] src/work_mgga_x.c: The rest of the derivatives are there.
I will test it more thoroughly tomorrow, and finish to change the
interface to include also the derivatives of the laplacian of
rho.
2010-12-15 15:39 marques
* [r7178] src/mgga_x_2d_prhg07.c, src/mgga_x_br89.c,
src/mgga_x_lta.c, src/mgga_x_m06l.c, src/mgga_x_tau_hcth.c,
src/mgga_x_tpss.c, src/mgga_xc_vsxc.c, src/work_mgga_x.c: First
steps at the second derivatives of the meta-GGAs. Several things
are already OK for the tpss (exchange) but there are still some
terms missing.
2010-12-14 09:54 marques
* [r7173] src/gga_c_am05.c, src/mgga_x_tpss.c, src/work_mgga_x.c:
BUG fixes:
*) Fxc was missing from AM05 flags (thanks to Gian-Marco
Rignanese)
*) Vxc was wrong for x TPSS. Now I get exactly the same results
as GPAW
2010-12-08 13:40 marques
* [r7148] src/gga_perdew.c: Bug fix. Thanks to Gian-Marco Rignanese
for this!
2010-11-02 19:24 olivares
* [r7068] configure.ac: Had to correct the safe_allocate_A calls
that sometimes certain compilers go crazy about when commented
2010-10-29 20:55 marques
* [r7057] src/test.c: test
2010-10-29 08:55 marques
* [r7056] src/test.c: test
2010-10-29 08:25
* [r7055] src/test.c: test
2010-10-25 18:29 dstrubbe
* [r7050] src/Makefile.am: A correction to my r7041: now the right
modules are associated in the single/double precision cases. This
solves the warnings about redefining a rule for these targets.
2010-10-25 16:52 micael
* [r7049] src/mgga_c_tpss.c: TPSS correlation is not an exchange
functional ;)
2010-10-25 13:15 marques
* [r7047] src/gga_c_p86.c, src/lda_c_rpa.c: Should not divide by
zero in P86
2010-10-25 12:04 marques
* [r7046] src/work_gga_becke.c: Becke functionals should not divide
by zero when the density is zero ;)
2010-10-25 11:37 marques
* [r7045] src/gga_x_kt.c: Bug fix: KT1 and KT2 were completely
wrong.
2010-10-25 11:13 marques
* [r7044] src/gga_x_pbe.c: Bug fix: rge2 was not working.
2010-10-20 20:19 dstrubbe
* [r7042] src/Makefile.am: Added some missing rules and
dependencies in libxc. Running a parallel make failed miserably
before this, although evidently it just happened to work anyway
in serial. Something is still not perfect since I get these
warnings after "make -j install":
Makefile:817: warning: overriding commands for target
`xc_f90_lib_m.mod'
Makefile:811: warning: ignoring old commands for target
`xc_f90_lib_m.mod'
Makefile:817: warning: overriding commands for target
`xc_f90_types_m.mod'
Makefile:811: warning: ignoring old commands for target
`xc_f90_types_m.mod'
2010-10-18 14:40 marques
* [r7035] src/lda_c_1d_csc.c: Now the 1D CSC for beta=1 has a spin
dependence
2010-10-14 15:10 marques
* [r7033] src/Makefile.am, src/gga_k_ge2.c, src/util.h,
src/work_gga_x.c: Added the second-order gradient expansion of
the kinetic energy functional.
2010-10-14 14:19 marques
* [r7032] src/gga_c_pbe.c, src/gga_x_2d_b86_mgc.c, src/gga_x_pbe.c,
src/mgga_x_br89.c: Updated the citations. Thanks Tobias!
2010-10-14 14:14 marques
* [r7031] src/Makefile.am, src/lda_k_tf.c, src/xc.h: Added the
Thomas-Fermi functional for the kinetic energy density.
2010-10-14 12:27 marques
* [r7030] src/Makefile.am, src/gga_x_kt.c, src/work_gga_x.c: Added
two new functionals, Keal and Tozer version 1 and 2.
2010-10-05 12:42 marques
* [r7024] src/gga_x_pw86.c: Added a new functional: a
reparemetrization of PW86 to be used in vdW calculations.
2010-09-28 16:34 micael
* [r7023] src/work_mgga_x.c: The exchange potential of the
Becke-Johnson MGGA type should be zero if the density is zero in
order to avoid getting some NaN.
2010-08-17 17:57 dstrubbe
* [r6940] src/mgga_x_2d_prhg07.c: *) Made two tests run for MPI as
well as serial. There doesn't seem to be any reason they
shouldn't be run in parallel.
*) Updated Coordinates block to only have the appropriate number
of dimensions in these tests.
*) Typo.
2010-08-17 07:14 juho
* [r6939] src/mgga_x_2d_prhg07.c: Wrong sign (the equation is
solvable down to -1), wrong return value. Returning zero gives us
an effective lda approximation. See PRB 76, 235314, page 4.
2010-08-16 11:54 juho
* [r6935] src/mgga_x_2d_prhg07.c: Corrected the sign of the PRP10
correction
2010-08-16 11:01 juho
* [r6934] src/Makefile.am, src/mgga_x_2d_prhg07.c,
src/work_mgga_x.c: PRHG10 2D exchange functional along with
optional PRP10 exchange correction. See:
http://prb.aps.org/abstract/PRB/v76/i23/e235314 and
http://prb.aps.org/abstract/PRB/v81/i11/e115108
2010-08-02 23:26 xavier
* [r6899] src/mgga_x_br89.c: * Removed some debugging output.
2010-08-02 20:04 xavier
* [r6898] src/mgga_x_br89.c, src/work_mgga_x.c: * The XC potential
for BR89 class of functionals is not set to zero
for low density and tau. This fixes the problem with the cusp.
The
problem for low densities remains.
* The solution of the non-linear equation in the BR89 functionals
works properly for small positive values.
2010-07-29 14:10 marques
* [r6881] src/lda_x.c: Added reference to Slater's Xalpha method.
2010-07-26 08:30 marques
* [r6860] src/xc_f.c: Bug fix in the Fortran interface of
f90_hyb_gga_exx_coef. Thanks to Tyrel M. McQueen and John Kay
Dewhurst for this one ;)
2010-07-14 19:04 dstrubbe
* [r6820] configure.ac: autoconf on libxc is failing on some
systems and demanding this line.
2010-07-09 12:49 marques
* [r6805] configure.ac: As octopus is vulgaris, then libxc can be
ordinarius
2010-07-09 12:43 marques
* [r6802] ChangeLog, INSTALL, configure.ac: Changed the version
number to 1.0
2010-07-06 12:02 marques
* [r6782] src/gga_c_pbe.c, src/gga_x_pbe.c: Added another
functional to the PBE family of functionals. Another one from
Scuseria, the RGE2, both the exchange and the correlation part.
2010-06-13 12:44 acastro
* [r6723] src/lda_c_2d_prm.c: Roll back to previous version (6720),
since the idea of moving the
obsolete variables to one place was not so good...
2010-05-27 21:58 xavier
* [r6666] src/mgga_x_br89.c: Improved the numerical accuracy of the
non-linear solver in the BR89
class of MGGAs. This means that the equation converges for all
values
of the rhs and the bisection is no longer needed.
2010-05-26 08:02 marques
* [r6660] src/lda_c_1d_csc.c: Forgot an else
2010-05-26 07:58 marques
* [r6659] src/lda_c_1d_csc.c: Added the parametrization of the CSC
functional for the soft Coulomb interaction and a=0.5
2010-05-05 19:09 olivares
* [r6605] INSTALL: Returned INSTALL to its original configuration
2010-05-05 15:25 olivares
* [r6602] INSTALL: updates on the electrostatic boundary conditions
2010-03-25 10:48 xavier
* [r6391] src/libxc_master.F90: Moved the definition of
XC_FAMILY_KS_INVERSION to octopus. Since libxc
is an independent library we should keep it separated from
octopus
specific variables. Anyway we should find a better way to deal
with
this situation.
2010-03-25 08:15 appel
* [r6390] src/libxc_master.F90: Adding KS inversion as a new family
of functionals
in a spirit similar to OEP. There is now a new module
xc_ks_inversion_m that contains most of the inversion
code. I have adapted the 'old' runmode invert_ks to
use this new infrastructure.
To deal with dependencies I had to move the eigensolver
module from scf to system (as suggested by Miguel). This
is analogous to the linear solver in the case of OEP.
Not all things are in place yet to use the functional
family in the general case, however the old runmode
should work as before.
2010-03-24 08:27 marques
* [r6384] src/Makefile.am: I believe this is the correct way of
handling the dependencies. Sorry, I
had this lingering around already for a couple of weeks, but I
forgot to
commit it.
2010-03-23 18:34 xavier
* [r6381] src/Makefile.am: Another attempt to get dependencies
right.
2010-03-23 18:14 xavier
* [r6380] src/Makefile.am: My "fix" for libxc makes things worse.
Someone knows how to fix this?
2010-03-23 17:36 xavier
* [r6379] src/Makefile.am: A hack to fix the dependencies in libxc.
2010-03-22 16:46 xavier
* [r6373] configure.ac, m4/ax_f90_module_extension.m4,
src/Makefile.am: Fixed some autotools warnings in libxc.
2010-03-21 11:06 xavier
* [r6363] configure.ac, m4/ax_f90_module_extension.m4,
src/Makefile.am: Now libxc can deal with compilers that use
uppercase filenames for
modules.
2010-03-20 19:12 xavier
* [r6360] configure.ac, m4/ax_f90_module_extension.m4,
src/Makefile.am: * Now libxc installs the Fortran modules.
* Added a macro to detect the module extension.
2010-03-08 22:28 dstrubbe
* [r6348] m4: *) Improved formatting
*) Added push_sub's
*) Changed single-letter variable
*) Set svn:ignore on another automatically generated file in
libxc
2010-03-06 03:38 dstrubbe
* [r6345] m4: *) Improved formatting and comments
*) Added push_sub's, and removed one that appeared an excessive
number of times in the debugging stack trace
*) Set svn:ignore properties for libxc files generated by libtool
2
2010-03-02 15:55 marques
* [r6335] src/Makefile.am: This is an overkill hack in order for
libxc to compile with different versions of libtool. Let's see
what I broke now...
2010-03-02 00:21 dstrubbe
* [r6330] ., build, src, testsuite: Set svn:ignore for new files
being created in libxc.
2010-02-26 16:22 marques
* [r6326] src/Makefile.am: Stupid hack to go around buggy
libtool/automake. This works in tddft.org, let's see the others
now.
2010-02-26 15:42 marques
* [r6325] configure.ac, src/Makefile.am: Let's see if this fixes
the compilations issues. Needless to say that it
compiles without problem in my machine... I hate the autotools!
2010-02-26 14:01 marques
* [r6324] Makefile.am, build, build/Makefile.am, build/libxc.pc.in,
build/libxc.spec.in, configure.ac, src/Makefile.am: Added the
option to compile libxc dynamically, and a target to create
libxc.rpm
I had to use libtool, which led to some problem. Let's see if all
the
architectures are happy with them...
2010-02-09 09:40 marques
* [r6310] src/Makefile.am, src/lda_c_ml1.c, src/lda_c_ps94.c,
src/test.c: Renamed the PS94 functional to the name given in the
original article,
and added a second version of the functional
2010-02-09 09:27 marques
* [r6309] src/lda_c_ps94.c: Now also vxc is working for this
functional. I will leave fxc and kxc
for the future ;)
2010-02-08 15:12 marques
* [r6308] src/lda_c_ps94.c: Sorry, there was a semi-colon missing
2010-02-08 14:11 marques
* [r6307] src/Makefile.am, src/lda_c_ps94.c, src/test.c: Initial
implementation of the Proynov and Salahub 94 LDA. The energy is
working and giving the right results. Now it is time to optimize
and to
compute the derivatives.
Yes, I was also surprised that there are even more LDA
functionals. This
one is anyway different, as it is not a parametrization of the CA
Monte-Carlo data, but uses a quite different approach.
2010-02-04 10:11 marques
* [r6303] src/gga_perdew.c: Small correction pointed out by Damien
Caliste.
2010-02-03 15:58 marques
* [r6302] src/gga.c, src/gga_c_am05.c, src/gga_c_lm.c,
src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_x_2d_b86.c, src/gga_x_2d_b86_mgc.c,
src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c, src/gga_x_am05.c,
src/gga_x_b86.c, src/gga_x_b86_mgc.c, src/gga_x_b88.c,
src/gga_x_bayesian.c, src/gga_x_dk87.c, src/gga_x_ft97.c,
src/gga_x_g96.c, src/gga_x_lg93.c, src/gga_x_mpbe.c,
src/gga_x_optx.c, src/gga_x_pbe.c, src/gga_x_pbea.c,
src/gga_x_pw86.c, src/gga_x_pw91.c, src/gga_x_rpbe.c,
src/gga_x_wc.c, src/gga_xc_1w.c, src/gga_xc_b97.c,
src/gga_xc_edf1.c, src/gga_xc_lb.c, src/hyb_gga_xc_b1wc.c,
src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b97.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_pbeh.c, src/lca_lch.c,
src/lca_omc.c, src/lda.c, src/lda_c_1d_csc.c,
src/lda_c_2d_amgb.c, src/lda_c_2d_prm.c, src/lda_c_hl.c,
src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c, src/lda_c_vwn.c,
src/lda_c_wigner.c, src/lda_x.c, src/lda_x_1d.c, src/lda_x_2d.c,
src/lda_xc_teter93.c, src/libxc_master.F90, src/mgga.c,
src/mgga_c_tpss.c, src/mgga_x_br89.c, src/mgga_x_lta.c,
src/mgga_x_m06l.c, src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c,
src/mgga_xc_vsxc.c, src/util.h, src/work_gga_x.c, src/work_lda.c,
src/work_mgga_c.c, src/work_mgga_x.c, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: I finished
cleaning the interface of libxc. The release of 1.0beta will
follow in the next days.
2010-02-01 09:27 micael
* [r6296] src/mgga.c: *) The calculation of the laplacian of the
density was wrong in the spin-polarized case.
*) A variable was not initialized in libxc for the MGGAs when the
density was bellow the threshold.
*) Some small fixes to the etsf_io output.
2010-01-19 11:29 marques
* [r6266] src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_x_b88.c, src/gga_x_pbe.c,
src/gga_xc_edf1.c, src/mix_func.c: Several fixes for the bugs
found by Xavier while setting up the xc test.
Fairly trivial things, but anyway quite annoying...
2009-12-15 14:37 marques
* [r6227] src/lda_x_1d.c: Bug fix: there was a "-1" missing in an
index which caused some
compilers to return garbage (which was the correct answer). This
should
fix the 1D test that is currently failing. Please 1D people check
your
calculations!!!!
2009-12-15 12:12 marques
* [r6226] src/gga_x_b88.c, src/integrate.c: Bug fix in Pulay
mixing: a range was wrong in an allocation
Bug fix in 1D CSC functional: variables were not deallocated
2009-12-08 13:17 marques
* [r6199] src/gga_x_pbe.c, src/gga_x_rpbe.c, src/gga_xc_edf1.c,
src/mix_func.c, src/util.h, src/xc.h, testsuite/xc-reference.pl:
*) Bug fix when calculating v2rho2 in mixed GGAs
*) The optPBE_vdW functional was wrong
*) Now xc-reference.pl knows about build directories
2009-12-08 09:02 dstrubbe
* [r6198] src/lda_c_pz.c: *) The kdotp run mode now prints out band
velocities, which in fact needs only the perturbation Hamiltonian
and not the perturbed wavefunctions.
*) Broke up kdotp_output into kdotp_write_degeneracies and
kdotp_write_eff_mass
*) A couple typographical things in LDA C PZ.
2009-12-03 20:17 marques
* [r6191] src/work_lda.c: Bug fixed: this was triggered by the
changing of the thresholds, but it
was there for a long time. Now the tests should pass.
2009-12-02 17:16 micael
* [r6186] src/gga_perdew.c, src/util.h, src/work_gga_x.c,
src/work_mgga_x.c: More fixes regarding very small densities.
2009-12-02 10:59 marques
* [r6185] src/gga.c, src/gga_c_lm.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_perdew.c, src/gga_x_b88.c, src/lda.c,
src/util.c: Some cleaning regarding very small densities
2009-12-01 09:22 marques
* [r6176] src/Makefile.am: Sorry, this file should not have been
committed: reverting it.
2009-12-01 09:10 marques
* [r6175] src/Makefile.am, src/gga_x_b88.c, src/gga_x_pbe.c,
src/gga_xc_edf1.c, src/util.h, src/xc.h: 3 new functionals
optimized to be used with the Dion et al vdW
functional. See http://arxiv.org/abs/0910.0438
2009-11-24 13:16 xavier
* [r6129] configure.ac: The macro required by C99 is not available
in autoconf 2.59, that is
the one in tddft. So we will have to stay with c89 for the
moment.
2009-11-24 12:51 xavier
* [r6128] configure.ac: Now Octopus and libxc set the C compiler in
C99 mode.
2009-11-19 20:49 dstrubbe
* [r6084] src/gga_xc_lb.c, testsuite/xc-consistency.c: A few
spelling issues.
2009-11-18 09:53 marques
* [r6078] src/Makefile.am, src/gga_x_2d_b86.c,
src/gga_x_2d_b86_mgc.c, src/gga_x_2d_b88.c, src/gga_x_2d_pbe.c,
src/gga_x_b86.c, src/util.h, src/work_gga_x.c,
src/work_gga_x_2d.c: Added a bunch of 2D GGA functionals. They
are still under testing, so
don't rush to do calculations with them...
2009-11-09 09:03 marques
* [r6047] src/lda_x.c, src/xc_f.c: *) Now the relativistic
corrections are also present in higher
derivatives
*) Corrected warning in the interface of the meta-GGAs
2009-11-09 05:21 dstrubbe
* [r6046] src/lda_x.c: *) Capitalization of SPARSKIT
*) A u-umlaut got turned into garbage in a comment, so I replaced
it with "ue"
2009-11-07 12:20 micael
* [r6041] src/lda_x.c, src/libxc_master.F90, src/util.h, src/xc.h,
src/xc_f.c: *) Put the relativistic correction to the exchange
part of the LDA back into libxc.
*) Replaced the Xe UPF pseudopotential with a correct one and
removed all the other UPF pseudos.
*) The SO coupling test is again active.
2009-11-06 09:47 marques
* [r6034] src/gga_x_2d_b86_mgc.c, src/lda_c_2d_prm.c,
src/work_gga_x_2d.c: Bug fix: some functionals were not working
in 2D.
2009-11-06 07:52 marques
* [r6033] src/xc_f.c: Fixed a couple of bugs:
*) LB94 was not working due to two problems with the interface
*) oct-center-geom was segfaulting due to incorrect
initialization of
geometry
2009-11-03 16:51 micael
* [r6015] src/mgga_x_br89.c: The gradient and the laplacian of the
density used to compute the xc potential are now computed
directly from the wavefunctions.
2009-10-30 16:01 micael
* [r6008] src/gga_xc_lb.c: *) Bug fixed: the LB94 functional was
not working for the spin-polarized case because of a couple of
misplaced brackets.
2009-10-16 08:08 marques
* [r5941] src/Makefile.am, src/functionals.c, src/gga.c,
src/gga_c_lyp.c, src/gga_x_b88.c, src/gga_xc_1w.c,
src/gga_xc_edf1.c, src/gga_xc_xlyp.c, src/hyb_gga.c,
src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c, src/libxc_master.F90, src/mgga_x_br89.c,
src/mix_func.c, src/util.h, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: Cleaned up
the hybrids. There is no more the specific interface
hyb_gga_xxx, as the generic gga_xxx handles the requests.
2009-10-13 11:53 marques
* [r5940] src/gga_xc_lb.c: Added teh asymptotic expansion fo LB94
2009-10-09 08:36 micael
* [r5934] INSTALL, src/gga_xc_lb.c, src/mgga.c, src/mgga_x_br89.c,
src/xc.h, src/xc_f.c: *) Fixed a couple of bugs in libxc.
*) Changed the initial point for the Newton-Raphton routine in
the Becke & Johnson functional.
2009-10-01 08:30 marques
* [r5924] src/mgga.c: This corrects the assertion failure of Fulvio
2009-09-25 18:46 dstrubbe
* [r5917] src/lda_x.c: *) In the file xc_oep.F90, an error message
is written if in parallel saying "Full OEP is not allowed with
the code parallel in states." However, the actual condition
implemented in the code is whether it is parallel at all. I'm not
sure if the condition, or the message, is wrong and should be
changed.
*) Improvements to documentation, comments, and output.
*) Added and corrected push_sub's.
*) Lengthened some single-letter variables.
*) Alphabetized module lists.
*) Made tests be called curvilinear instead of 'curvlinear'
2009-09-24 12:47 marques
* [r5910] configure.ac, src/functionals.c, src/gga.c,
src/gga_c_am05.c, src/gga_c_lm.c, src/gga_c_lyp.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c,
src/gga_perdew.c, src/gga_xc_b97.c, src/gga_xc_lb.c, src/lda.c,
src/lda_c_1d_csc.c, src/lda_c_2d_prm.c, src/lda_c_vwn.c,
src/lda_x.c, src/lda_x_1d.c, src/libxc_master.F90, src/mgga.c,
src/mgga_c_tpss.c, src/mgga_x_br89.c, src/mgga_x_m06l.c,
src/mgga_xc_vsxc.c, src/util.h, src/work_gga_becke.c,
src/work_mgga_c.c, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: *) I started
changing the interface of libxc following a suggestion of
the devlopers of ELK. Hybrids should nto work, and some
functionals may
give segmentation faults. In any case, all tests are passed in my
machine
*) Added the functional of Esa and Stefano
*) Corrected the builddir in mk_functionals_list.pl
*) Added dummy integers to mpi_debug.F90 mpi_lib.F90 so that
compilers
stop complaining
*) Decreased the precision of the SIC test
2009-09-09 08:32 marques
* [r5887] src/lda_x_1d.c, src/libxc_master.F90, src/xc_f.c,
testsuite/Makefile.am: *) Now octopus is also aware of the 1D
exchange functional
*) Replaced the _init_exchanged and _init_correlation by a
simpler
_init_functl
*) Some more tests are passed in 4D. The exceptions are now the
open
systems tests and the periodic_systems/06-h2o_pol_lr.test
*) kpoints are now properly deallocated and the volume of the
unit
cell is also properly calculated in 1D and 2D
2009-09-07 11:31 marques
* [r5886] src/lda_x_1d.c, src/special_functions.c, src/test.c,
src/util.h: Now the 1D exchange functional seems to be working.
It includes both
spins,a nd the two forms of the interaction. I also implemented
Fxc.
2009-08-28 23:24 dstrubbe
* [r5871] src/xc.h: Some changes to documentation, comments, and
output.
2009-08-28 10:23 marques
* [r5870] src/Makefile.am, src/integrate.c, src/lda_c_1d_csc.c,
src/lda_c_vwn.c, src/lda_x_1d.c, src/mgga_x_br89.c,
src/special_functions.c, src/test.c, src/util.h, src/xc.h,
src/xc_config.h: *) Added the LDA exchange in 1D. This functional
is still not functional
*) Added the LDA correlation in 1D of Casula for a soft-Coulomb
interaction
*) Corrected the segmentation fault found by Fulvio
2009-08-24 18:50 dstrubbe
* [r5854] src/lda_x.c: *) Removed troublesome ' in comment in
libxc, in the file produced by the new script, as well as what I
believe is the source from which it arises
*) Made mk_functionals_list.pl refer to its actual name
*) Corrected spelling and punctuation in variable documentation
2009-08-21 09:21 marques
* [r5841] src/lda_c_1d_csc.c, src/libxc_master.F90, src/xc.h,
src/xc_f.c: Added the soft-Coulomb version of the 1d_csc lda
2009-07-21 08:56 marques
* [r5741] src/gga.c: This should solve the problem of David.
2009-07-15 09:46 marques
* [r5719] src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_xc_lb.c,
src/mix_func.c, src/work_gga_becke.c, src/xc.h: Some more changes
related to the interface. I am sure that many of the non-standard
functionals have problems, so be careful.
2009-07-15 09:23 marques
* [r5718] src/gga.c, src/gga_c_am05.c, src/gga_c_lm.c,
src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_xc_lb.c, src/hyb_gga.c, src/lda.c,
src/libxc_master.F90, src/mgga_c_tpss.c, src/mix_func.c,
src/work_gga_x.c, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: Now the GGas
are also done in blocks. The current interface is just a hack to
make things work. I hope to be able to fix it soon.
2009-06-30 11:03 marques
* [r5662] src/Makefile.am, src/gga_xc_edf1.c, src/gga_xc_lb.c,
src/gga_xc_xlyp.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_o3lyp.c, src/lda.c, src/lda_c_xalpha.c,
src/lda_x.c, src/libxc_master.F90, src/work_lda.c, src/xc.h,
src/xc_f.c, testsuite/xc-consistency.c, testsuite/xc-get_data.c:
*) now the LDA works on vectors to a very low level
*) Rearranged th exchange and xalpha interfaces to make them more
standard
Note that libxc at the moment has a inconsistent interface. I
will try to fix it soon.
2009-06-30 09:47 marques
* [r5661] TODO, src/gga_c_am05.c, src/gga_c_p86.c,
src/gga_perdew.c, src/gga_xc_lb.c, src/lda.c, src/lda_c_xalpha.c,
src/libxc_master.F90, src/mix_func.c, src/work_gga_becke.c,
src/work_mgga_c.c, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: *) First
step in the dircetion of vector calling libxc in order to
optimize performance.
2009-06-29 09:55 marques
* [r5655] src/mgga_x_br89.c, src/test.c, src/work_mgga_x.c: Some
more corrections to the TP09 functional. I believe that it might
be working now.
2009-06-25 15:43 marques
* [r5637] src/mgga.c, src/mgga_x_br89.c, src/work_mgga_x.c,
src/xc_f.c: One can not run the PB09 thing, but, as expected, the
calculation for a finite system is kind of unstable... maybe it
is better for a solid ;)
2009-06-25 14:34 marques
* [r5635] src/libxc_master.F90, src/xc_f.c: Now the mggas are again
implemented in the code.
2009-06-25 10:47 xavier
* [r5634] m4/acx.m4, m4/fc_integer.m4: Now octopus can be cross
compiled. To do it,
he user has to pass two variables
to the configure script:
FC_INTEGER_SIZE=4
CC_FORTRAN_INT=int
With this change octopus compiles in a Blue Gene/P.
2009-06-24 15:19 marques
* [r5632] src/mgga_x_br89.c: Forgot a factor.
2009-06-24 15:18 marques
* [r5631] src/mgga_x_br89.c, src/mgga_x_lta.c, src/mgga_x_m06l.c,
src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c, src/mgga_xc_vsxc.c,
src/work_mgga_x.c, src/xc.h: Added the famous new functional of
Tran & Blaha. This was not tested, and there is a factor of 2
that is bugging me...
2009-06-24 14:26 marques
* [r5630] src/Makefile.am, src/libxc_master.F90, src/mgga_x_br89.c,
src/mgga_x_br97.c: *) I made a mistake in the year of
becke-roussel
*) hopefully it now compiles
2009-06-24 14:15 marques
* [r5629] src/Makefile.am, src/gga.c, src/gga_c_am05.c,
src/gga_c_p86.c, src/gga_perdew.c, src/gga_xc_lb.c,
src/hyb_gga.c, src/lda.c, src/libxc_master.F90, src/mgga.c,
src/mgga_c_tpss.c, src/mgga_x_br97.c, src/mgga_x_lta.c,
src/mgga_x_m06l.c, src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c,
src/mgga_xc_vsxc.c, src/test.c, src/work_gga_becke.c,
src/work_mgga_c.c, src/work_mgga_x.c, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: *)
Hartree-Fock now works with spinors (I hope)
*) Added Becke-Roussel Meta-GGA. This one should be working asa
it was tested against a piny_md.
*) Because of that i had to change slightly the interface to
libxc
2009-06-03 23:47 dstrubbe
* [r5556] src: *) Changed svn:ignore properties to get rid of a
bunch of ? from svn status.
*) Added FromScratch = yes to some tests to remove warnings about
being unable to read from restart directory.
*) Added a Cl pseudopotential since I am using this frequently.
2009-05-27 11:05 marques
* [r5509] ChangeLog: Small changes required to compile octopus with
ifort
2009-05-26 09:23 marques
* [r5496] ChangeLog: *) Added a MemoryLimit variable. Octopus will
stop if this variable is set and if the total memory depasses its
value
*) Octopus was not compiling in 4D due to array mismatches
2009-05-18 08:25 marques
* [r5418] ChangeLog, src/libxc_master.F90, src/xc_f.c: Changes
necessary to compile octopus in single precision more. Alberto,
I guess I made a disaster in your opt-control code (that now will
not
wortk in single precision). The problem are the minimizing
routines that
do not have interfaces in single precision more. One should add
it...
2009-05-13 10:54 marques
* [r5381] src/gga_c_pbe.c, src/gga_x_pbe.c: Added a couple of
reparametrizations of the PBE by the group of Klaus Capelle. Note
that all the other combinations present in the paper can be
obatined by combining the already existing exchanges and
correlations of PBE and PBE_SOL. For example: GCGX = x_PBE_SOL +
c_PBE
2009-04-21 07:52 marques
* [r5298] testsuite/Makefile.am: I implemented the inversion of the
Kohn-Sham equations (static). It seems to work in simple cases,
but the iterative procedure does lack stability, and fails to
converge for more complicated densities...
2009-04-17 12:56 marques
* [r5258] ChangeLog, Makefile.am, configure.ac, m4/acx.m4,
m4/fcflags.m4, src/Makefile.am, src/functionals.c,
src/get_funcs.pl, src/gga.c, src/gga_c_am05.c, src/gga_c_lm.c,
src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_perdew.c, src/gga_x_2d_b86_mgc.c,
src/gga_x_am05.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_b88.c, src/gga_x_bayesian.c, src/gga_x_dk87.c,
src/gga_x_ft97.c, src/gga_x_g96.c, src/gga_x_lg93.c,
src/gga_x_mpbe.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pbea.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_wc.c, src/gga_xc_1w.c,
src/gga_xc_b97.c, src/gga_xc_edf1.c, src/gga_xc_lb.c,
src/gga_xc_xlyp.c, src/hyb_gga.c, src/hyb_gga_xc_b1wc.c,
src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b97.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_pbeh.c, src/lca.c,
src/lca_lch.c, src/lca_omc.c, src/lda.c, src/lda_c_1d_csc.c,
src/lda_c_2d_amgb.c, src/lda_c_2d_prm.c, src/lda_c_hl.c,
src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c, src/lda_c_vwn.c,
src/lda_c_wigner.c, src/lda_c_xalpha.c, src/lda_x.c,
src/lda_x_2d.c, src/lda_xc_teter93.c, src/libxc_master.F90,
src/mgga.c, src/mgga_c_tpss.c, src/mgga_x_lta.c,
src/mgga_x_m06l.c, src/mgga_x_tau_hcth.c, src/mgga_x_tpss.c,
src/mgga_xc_vsxc.c, src/mix_func.c, src/special_functions.c,
src/string_f.h, src/test.c, src/util.c, src/util.h,
src/work_gga_becke.c, src/work_gga_x.c, src/work_gga_x_2d.c,
src/work_lda.c, src/work_mgga_c.c, src/work_mgga_x.c, src/xc.h,
src/xc_f.c, src/xc_s.h, testsuite/Makefile.am,
testsuite/xc-consistency.c, testsuite/xc-get_data.c,
testsuite/xc-reference.pl, testsuite/xc-run_testsuite: Changed
the license with the script that Tobias sent. Thanks Tobias.
2009-04-13 22:25 xavier
* [r5203] Makefile.am: This fixes the problem with make distcheck.
2009-03-31 09:29 marques
* [r5134] ChangeLog, Makefile.am, src/Makefile.am: A couple more
fixes to the make environment
2009-03-31 09:09 marques
* [r5132] AUTHORS, NEWS, README, src/lda_x.c: Little corrections to
some stupid files
2009-03-26 10:27 marques
* [r5117] ChangeLog, Makefile.am, PACKAGING, configure.ac,
m4/acx.m4: Several details necessary to package libxc.
*) There is now a PACKAGING file
*) FCCPP explanation now appears in ./configure --help
*) Automatic generation of ChangeLog file -- maybe it would be
better to
separate it per years, but I don't know how to do it well...
2009-03-20 14:40 marques
* [r5093] src/lda_x_2d.c: Forgot this file... sorry.
2009-03-20 12:00 marques
* [r5092] DONE, src/lda_c_2d_prm.c, src/lda_c_hl.c, src/test.c:
Some more fixes, and now HL also has Kxc.
2009-03-20 09:48 marques
* [r5091] configure.ac, src/Makefile.am, src/lda_c_1d_csc.c,
src/lda_c_2d_amgb.c, src/lda_x.c, src/test.c, src/work_lda.c,
src/work_lda_1d.c: Reorganization of the LDAs of reduced
dimension. Now there is a common
driver routine in work_lda that handles 1, 2, and 3 dimensions. I
also
took the opportunity to add fxc and kxc to the 2d ldas (both
exchange
and amgb). I do not know if his is useful (someone interested in
hyperpolarizabilities of 2D systems?), but I added it for
completeness.
2009-03-17 10:03 mjv500
* [r5087] src/lda_x.c: MIGUEL CHECK THIS stray float
2009-03-16 08:33 marques
* [r5086] src/gga_x_am05.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_b88.c, src/gga_x_bayesian.c, src/gga_x_dk87.c,
src/gga_x_ft97.c, src/gga_x_g96.c, src/gga_x_lg93.c,
src/gga_x_mpbe.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pbea.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_wc.c, src/lda_x.c, src/mgga_x_m06l.c,
src/test.c, src/util.h, src/work_gga_x.c: Som cleaning in the
ggas
2009-03-11 09:00 marques
* [r5079] src/string_f.h: It is easier to maintain a copy of this
file here, so that this library
is indeed independent.
2009-03-11 08:58 marques
* [r5078] src/Makefile.am, src/lda_c_vwn.c, src/xc_f.c: Now also
VWN has analytical Kxc
2009-03-09 16:52 mjv500
* [r5070] configure.ac: had to fix dependencies after removal of
libstring_f - someone competent check this
2009-03-09 14:08 marques
* [r5068] DONE, src/lda_c_pw.c: Now pw also has analytical Kxc
2009-03-09 12:30 marques
* [r5066] DONE, src/test.c: I got rid of libstring_f. It was
replaced simply by a header file
(string_f.h) that is included twice in octopus (liboct_parser and
libxc/src). The main difference is that TO_C_STR passed to a
subroutien
instead of a function.
I used the opportunity to fix the strcasestr definition that was
quite
broken.
2009-03-09 10:16 marques
* [r5065] src/lda_c_pz.c: Now Perdew-Zunger has analitic 3rd
derivatives. Due to that, the values
of the hyperpolarizability test changed slightly (4th digit)
2009-03-09 09:11 marques
* [r5064] src/lda.c, src/lda_c_rpa.c, src/lda_c_wigner.c,
src/lda_xc_teter93.c, src/test.c, src/util.h, src/work_lda.c: *)
Added support for the calculation of kxc (the 3rd derivative of
Exc)
in libxc. I also changed the interface to something more
reasonable. Now
we have, when spin is polarized, kxc(4) = (uuu, uud, udd, ddd)
*) Now octopus does stop if one tries to run with fxc or kxc !=
LDA. Up
to now it was simply ignoring fxc (i.e., it was performing an RPA
calculation). David and Xavier, please check this one out.
2009-03-05 13:04 marques
* [r5037] src/lda.c, src/lda_c_hl.c, src/lda_c_pw.c,
src/lda_c_pz.c, src/lda_c_rpa.c, src/lda_c_vwn.c,
src/lda_c_wigner.c, src/lda_c_xalpha.c, src/lda_xc_teter93.c,
src/test.c, src/util.h, src/work_lda.c, src/xc.h: *) Simplified a
bit more the interface to the routines.
*) Added support for spin-unpolarized Kxc, and added the third
derivatives of wigner and rpa corelation functionals.
2009-03-05 09:13 marques
* [r5036] src/lda_c_hl.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_rpa.c, src/lda_c_vwn.c, src/lda_c_wigner.c,
src/lda_xc_teter93.c, src/work_lda.c: Cleaned a bit the LDAs.
2009-02-25 17:40 xavier
* [r5002] src/Makefile.am, src/lda_c_2d_prm.c,
src/lda_c_2d_prm08.c, src/libxc_master.F90, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c: Due to the 31 character limitation I
had to rename the lda_c_2d_prm08 functional
to lda_c_2d_prm. Miguel, can you check that I did it correctly?
2009-02-25 10:25 marques
* [r4999] src/Makefile.am, src/lda_c_1d_csc.c,
src/libxc_master.F90, src/test.c, src/work_lda_1d.c, src/xc.h,
src/xc_config.h, src/xc_f.c: I implemented the 1D correlation LDA
of Barone's group. Note that this
has not been tested, and that there is the exchange missing...
2009-02-06 00:23 dstrubbe
* [r4926] m4/acx.m4: The macro that checks for "very long lines"
used a test program with a line that was very long, but still not
nearly so long as some lines generated by the ALLOCATE
preprocessor macro in the code. The PGI 8.0-1 Fortran compiler
passed that test in the configure script since it could handle
140 characters in a line, but could not handle 270 characters. I
approximately tripled the length of that line in the test program
to 433 characters, so that now PGI is considered not to accept
long lines.
2009-01-05 10:41 marques
* [r4849] DONE, TODO, src/Makefile.am, src/gga_x_bayesian.c: Added
a new form for the exachange enhancement factor that comes from a
bayesian best fit procedure
2008-12-02 08:38 marques
* [r4810] src/hyb_gga_xc_b1wc.c: Added a new hybrid,
XC_HYB_GGA_XC_mPW1K (modified Perdew-Wang for
kinetics)
2008-12-01 09:58 marques
* [r4809] TODO, src/gga_xc_b97.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b97.c: Added the Schmider-Becke 98 Hybrid GGA.
This is again a
reparametrization of the Becke-97 form. There are 6 versions of
it in
that paper, and I included them all. Although the functional is a
hybrid, I had to include also the "pure" GGA versions. The
keywords are:
for the "pure" GGAs
XC_GGA_XC_SB98_1a, XC_GGA_XC_SB98_1b, XC_GGA_XC_SB98_1c,
XC_GGA_XC_SB98_2a, XC_GGA_XC_SB98_2b, XC_GGA_XC_SB98_2c
to be used as a hybrid
XC_HYB_GGA_XC_SB98_1a, XC_HYB_GGA_XC_SB98_1b,
XC_HYB_GGA_XC_SB98_1c
XC_HYB_GGA_XC_SB98_2a, XC_HYB_GGA_XC_SB98_2b,
XC_HYB_GGA_XC_SB98_2c
2008-11-28 15:40 marques
* [r4804] TODO, src/Makefile.am, src/gga_xc_xlyp.c,
src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b3p86.c, src/hyb_gga_xc_b3pw91.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_x3lyp.c: Cleaned up a bit
the hybrid GGAs, and added some more hybrids on the
process. Let me see if I don't forget any: XC_HYB_GGA_XC_mPW3PW,
XC_HYB_GGA_XC_B1LYP, XC_HYB_GGA_XC_B1PW91, XC_HYB_GGA_XC_mPW1PW,
XC_HYB_GGA_XC_mPW3LYP
2008-11-28 10:07 marques
* [r4802] src/gga_x_2d_b86_mgc.c, src/gga_x_pw91.c: *) Fixed the
parameters of mPW91. I believe that this functional is
correct now
*) Added the correct parameters for the 2D B86 MGC functional
2008-11-27 10:39 marques
* [r4796] testsuite/hyb_gga_xc_b3lyp.data: There was a small but in
b3lyp that was solved. Now libxc gives exactly
the same thing as the repository, so I submit the repository data
2008-11-27 10:36 marques
* [r4795] TODO, src/Makefile.am, src/gga.c, src/gga_xc_1w.c,
src/gga_xc_edf1.c, src/hyb_gga.c, src/hyb_gga_xc_b1wc.c,
src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b3p86.c,
src/hyb_gga_xc_b3pw91.c, src/hyb_gga_xc_b97.c,
src/hyb_gga_xc_o3lyp.c, src/hyb_gga_xc_pbeh.c,
src/hyb_gga_xc_x3lyp.c, src/mix_func.c, src/xc.h: *) Rewrote the
way that functionals that are linear combinations of
others are handled.
*) Added three new GGAs of this type that were constructed for
water:
XC_GGA_XC_PBE1W, XC_GGA_XC_MPWLYP1W, and XC_GGA_XC_PBELYP1W
2008-11-26 10:24 marques
* [r4794] src/hyb_gga_xc_b97.c: Sorry, there was a misspel that
broke the compilation
2008-11-26 09:43 marques
* [r4793] DONE, TODO, src/Makefile.am, src/gga.c, src/gga_xc_b97.c,
src/hyb_gga.c, src/hyb_gga_xc_b1wc.c, src/hyb_gga_xc_b97.c,
src/libxc_master.F90, src/util.h, src/work_gga_becke.c, src/xc.h,
src/xc_f.c, testsuite/xc-consistency.c, testsuite/xc-get_data.c,
testsuite/xc-reference.pl: Added the hybrid functionals
corresponding to the becke 97 GGAs. They
are: XC_HYB_GGA_XC_B97, XC_HYB_GGA_XC_B97_1, XC_HYB_GGA_XC_B97_2,
XC_HYB_GGA_XC_B97_K, and XC_HYB_GGA_XC_B97_3
2008-11-25 10:35 marques
* [r4789] src/work_gga_becke.c: Forgot this file...
2008-11-25 10:31 marques
* [r4788] src/Makefile.am, src/gga_xc_b97.c, src/gga_xc_hcth.c,
src/test.c: Rewrote the B97 class of functionals. Now it also
includes fxc and some
mroe elements of this family. BTW, Xavier, included is the
functional of
Grimme that you sent me long ago... of course that to use it, one
should
also add the vdW term (trivial, actually)
2008-11-20 15:18 marques
* [r4779] src/gga_xc_hcth.c, testsuite/gga_xc_b97_1.data,
testsuite/gga_xc_b97_2.data: Added two other variants of Becke 97
2008-11-20 14:50 marques
* [r4778] src/gga_xc_hcth.c, testsuite/gga_xc_b97.data: Added Becke
97 functional
2008-11-14 13:49 marques
* [r4769] m4/fcflags.m4: Small things I found while trying to
compile in the new IBM Power 6 of CNRS
2008-10-22 09:52 marques
* [r4698] src/mgga_x_lta.c, src/work_mgga_x.c, src/xc_f.c: Some
bugs in the LTA corrected. I think one-shot calculations with LTA
are fine, but
self-consistent calculations give nonsense...
2008-10-22 07:06 marques
* [r4696] src/mgga_x_lta.c, src/mgga_xc_vsxc.c, src/test.c,
src/work_mgga_c.c, src/work_mgga_x.c, testsuite/xc-consistency.c:
*) Make check should work now. Can you please check, David?
*) Some bug fixes in the mggas, but there are still issues
2008-10-20 14:21 xavier
* [r4687] src/xc_f.c: The name of a libxc function was too long for
fortran.
2008-10-20 13:21 marques
* [r4686] src/libxc_master.F90, src/work_mgga_c.c: I implemented
the self-consistent MGGA functionals. However, calculatiosn with
them do not
converge! I am not sure if it is a bug somewhere, or numerical
instabilities. I am inclined to the
first option, of course, but I am not really sure.
2008-10-20 09:39 marques
* [r4684] src/xc.h, src/xc_f.c: Sorry for the mess: it should
compile now!
2008-10-20 09:32 marques
* [r4683] src/Makefile.am, src/gga_x_2D_b86_mgc.c,
src/gga_x_2d_b86_mgc.c, src/lda_c_2D_amgb.c,
src/lda_c_2D_prm08.c, src/lda_c_2d_amgb.c, src/lda_c_2d_prm08.c,
src/work_gga_x_2d.c: Cleanup the mess of 2d and 2D. Now,
everything is lowercase.
2008-10-20 09:23 marques
* [r4682] src/Makefile.am, src/gga_x_2D_b86_mgc.c,
src/lda_c_2D_amgb.c, src/lda_c_2D_prm08.c, src/lda_c_amgb.c,
src/lda_c_prm08.c, src/work_gga_x_2d.c: Added 2d to the
functionals in 2d
2008-10-20 09:12 marques
* [r4680] src/Makefile.am, src/gga_x_2D_b86_mgc.c,
src/mgga_xc_vsxc.c, src/test.c: I added support for mgga
calculations in the one_shot CalculationMode. Note that we can
_not_ dor
self-consistent mgga calculations at the moment.
I also added a new 2D functional that is going to be submitted
soon.
2008-10-17 16:54 marques
* [r4672] src/Makefile.am: Sorry, 2D GGAs will only go in the near
future ;)) Now it should
compile.
2008-10-17 14:55 marques
* [r4671] src/Makefile.am, src/mgga_x_gvt4.c, src/mgga_xc_vsxc.c,
src/util.h, src/work_mgga_c.c: *) Added support for the vsxc
correlation functional. Again, I have to
repeat that meta-GGAs have not been properly tested!
2008-10-08 13:00 marques
* [r4616] src/gga_perdew.c, src/mgga_c_tpss.c, src/work_mgga_x.c:
Some small fixes
2008-10-07 07:45 marques
* [r4599] src/Makefile.am, src/mgga_x_gvt4.c, src/mgga_x_m06l.c,
src/mgga_x_tau_hcth.c, src/test.c: Added the exchange part of the
tau-HCTH functional
2008-10-06 14:22 marques
* [r4592] src/Makefile.am, src/mgga_x_gvt4.c, src/mgga_x_m06l.c,
src/util.h: Added the exchange part of VSXC (called GVT4 for
whatever reason).
2008-10-06 12:46 marques
* [r4591] src/mgga_x_m06l.c: *) Changed the copyright notice to
something more "correct"
2008-10-06 12:43 marques
* [r4590] src/Makefile.am, src/gga_x_pbe.c, src/mgga_x_lta.c,
src/mgga_x_m06l.c, src/mgga_x_tpss.c, src/test.c, src/util.h,
src/work_mgga_x.c: *) Exchange in MGGA now is written in terms of
x and t
*) Added the exchange part of the M06l functional
2008-10-01 15:02 marques
* [r4582] src/mgga_c_tpss.c, src/mgga_x_tpss.c, src/test.c,
src/util.h, src/work_mgga_x.c: I have implemented the correlation
functional of TPSS. I made the usual
tests for the derivatives and they seem to work. However, I would
consider this functional highly experimental ;)
2008-09-17 10:02 marques
* [r4529] src/mgga_x_lta.c, src/mgga_x_tpss.c, src/test.c,
src/work_mgga_x.c: I believe that now the exchange in TPSS is
working. It has been
transformed to the new interface. It still has to be tested in
real
circunstances, of course.
2008-09-16 14:51 marques
* [r4524] src/mgga.c, src/mgga_x_lta.c, src/work_mgga_x.c: I now
believe that the LTA is working.
2008-08-25 13:22 marques
* [r4513] src/work_mgga_x.c: Sorry, forgot this detail
2008-08-25 13:08 marques
* [r4512] src/Makefile.am, src/functionals.c, src/mgga.c,
src/mgga_c_tpss.c, src/mgga_x_lta.c, src/mgga_x_tpss.c,
src/work_mgga_x.c, src/xc.h, src/xc_f.c, testsuite/xc-get_data.c:
Initial support for meta-GGAs. For now, I only added the local
tau approximation, but without real testing. I will proceed to
add also the TPSS. Note that for now, octopus is not able to use
these functionals.
2008-08-25 09:19 marques
* [r4511] src/gga_c_lm.c, src/lda_c_hl.c: *) added von Barth and
Hedin LDA
*) Now langreth & Mehl depends on the vBH LDA as it should
2008-08-21 14:12 marques
* [r4505] DONE, TODO, src/Makefile.am, src/gga_c_lm.c: Added
Langreth & Mehl GGA correlation
2008-06-13 11:09 marques
* [r4278] src/Makefile.am, src/lda_c_prm08.c, src/libxc_master.F90,
src/xc.h, src/xc_f.c, testsuite/xc-consistency.c: *) Added a 2D
correlation functional by Esa, Stefano and me to the
library.
2008-05-30 07:45 marques
* [r4209] src/util.h: Some people were having problems with the
definition of M_E. Apparently,
it is not standard (ansi) C, so we redefine it in case we are
asked
strict ansi
2008-05-07 08:56 marques
* [r4171] DONE, src/gga_perdew.c: Small problem with the PBE
solved.
2008-05-07 08:46 marques
* [r4170] src/gga_c_pbe.c, src/gga_c_pw91.c, src/gga_perdew.c,
src/util.h, testsuite/xc-consistency.c: Implemented the second
derivatives of the PBE xc functional. There seems
to be still a small error when for v2rho2 for spin unpolarized.
2008-05-07 07:31 marques
* [r4169] src/Makefile.am, src/hyb_gga_xc_b1wc.c: Added new hybrid
functional (B1WC)
2008-04-30 13:18 marques
* [r4129] DONE, src/gga_x_ft97.c, src/work_gga_x.c: Now also FT97
gets second derivatives. This took me almost a day to do :((
2008-04-29 13:41 marques
* [r4125] src/gga_x_am05.c: AM05 (exchange part) gets second
derivatives also
2008-04-29 11:41 marques
* [r4124] src/gga_c_pbe.c, src/gga_x_wc.c: Secon derivatives of the
WC functional
2008-04-29 10:05 marques
* [r4123] src/Makefile.am, src/gga_c_am05.c, src/gga_c_pbe.c,
src/gga_x_am05.c, src/gga_x_lg93.c, src/gga_x_mpbe.c,
src/gga_x_pbe.c, src/gga_x_pw86.c, src/gga_x_pw91.c, src/util.h:
Added two new functionals: mPBE and xPBE (both exchange and
correlation)
2008-04-29 08:23 marques
* [r4122] DONE, src/lda_xc_teter93.c: Now also Teter has second
derivatives
2008-04-29 07:56 marques
* [r4121] DONE, src/lda_c_pw.c: Now also PW92 is OK (including the
second derivatives)
2008-04-28 14:29 marques
* [r4118] DONE, src/lda_c_hl.c, src/lda_c_pz.c, src/lda_c_vwn.c:
Added the second derivatives to Perdew-Zunger.
2008-04-28 14:04 marques
* [r4117] src/hyb_gga_xc_b3lyp.c, src/lda_c_vwn.c, src/xc.h: *) Now
B3LYP has the correct definition of the VWN spin interpolation
(correct from
the point of view of Gaussian implementation)
2008-04-28 13:15 marques
* [r4116] src/lda_c_hl.c, src/lda_c_vwn.c: *) Added second
derivatives of vwn functional
2008-04-28 11:45 marques
* [r4115] DONE, src/Makefile.am, src/lda_c_hl.c, src/lda_c_rpa.c,
src/lda_c_wigner.c, src/util.h, src/work_lda.c, src/xc_config.h,
testsuite/xc-consistency.c: *) Code should now compile in single
precision mode
*) I am rewritting the LDA part. I created a system similar to
the exchange in GGA,
where one only has to write a formula in terms of rs and zeta.
*) Added the second derivatives os a number of LDA functionals.
2008-04-28 08:12 marques
* [r4113] src/libxc_master.F90, src/xc.h, src/xc_f.c: Commented all
references to the PRM functional that is currently ni the
drawing board. Hopefully, the problems will be solved, and I will
commit
it soon ;)
2008-04-28 07:53 marques
* [r4112] DONE, src/gga.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_b88.c, src/gga_x_dk87.c, src/gga_x_g96.c,
src/gga_x_lg93.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pbea.c, src/gga_x_pw86.c, src/gga_x_rpbe.c, src/lda.c,
src/lda_c_amgb.c, src/lda_c_pw.c, src/lda_x.c,
src/libxc_master.F90, src/xc.h, src/xc_f.c,
testsuite/Makefile.am, testsuite/xc-consistency.c,
testsuite/xc-run_testsuite: *) Added a run mode that allows for
one-shot calculations. This means
that we can do the self-consistent cycle with one xc functional,
and
then use that density and wave-functions to calculate the energy
using
another functional. Note that this does not work in HF or with
Hybrid
functionals! This also requires some cleaning in libxc, so do not
be
surprised if it segfaults (see libxc/DONE file for a resume of
what is
working in a clean way)
*) Added a lot of fxc for exchange GGA functionals. Now the next
task
will be the fxc for the LDA correlation functionals.
2008-04-18 09:06 xavier
* [r4081] Makefile.am: Incorporated spglib as a external library
(http://spglib.wiki.sourceforge.net/), a C code to search
symmetries
of crystals. All source files are a clean copy of version 91 from
the
svn repository.
2008-04-02 16:54 marques
* [r4030] src/gga_x_pbea.c: Macro call missing.
2008-04-02 14:21 marques
* [r4025] src/Makefile.am, src/gga_x_pbea.c: Added new functional
Madsen 07. This was sent to me by the author.
2008-04-02 14:14 marques
* [r4024] src/gga_c_am05.c, testsuite/xc-consistency.c: I believe
that now the implementation is correct. It does give the same
energy as the reference implementation I have
from the authors, and xc-consistency gives me a small error,
which probably means that the derivatives are correct.
2008-03-31 20:19 marques
* [r3993] src/gga_c_am05.c, src/gga_x_am05.c, src/work_gga_x.c:
Added a first implementation of AM05 correlation. This is still
not
working. I again have some doubts concerning the spin-polarized
implementation, and I am waiting for the authors to answer mye
mail
before finishing my implementation.
2008-03-31 19:59 marques
* [r3992] src/Makefile.am: I also forgot this file. Let us see if
it now compiles.
2008-03-31 14:41 marques
* [r3988] m4/acx.m4, m4/fcflags.m4: I believe that I forgot these
files.
2008-03-31 14:38 marques
* [r3987] configure.ac: This should solve the problem of Xavier
with the g95 build. It is not
pretty though, and I would be happy if one of you automake
experts could
clean it...
2008-03-28 14:16 marques
* [r3962] src/special_functions.c: Forgot this file
2008-03-28 14:02 marques
* [r3961] configure.ac, m4/gsl.m4, src/Makefile.am,
src/gga_x_am05.c, src/util.h, src/work_gga_x.c,
testsuite/Makefile.am, testsuite/xc-consistency.c: *) Removed
dependency on the GSL. By other words, I reimplemented the
Lambert function I needed.
*) I believe that the exchange part of AM05 is now working
*) Some more work on fxc in the GGAs. Now xc-consistency also
calculates
the finite difference fxc to test against analitical values.
There are
still some issues with spin in this routine
2008-03-26 15:34 xavier
* [r3951] testsuite/Makefile.am: Because of the linking order,
sometimes gsl couldn't be found.
2008-03-22 16:48 xavier
* [r3927] m4/gsl.m4: gsl.m4 is also required by libxc.
2008-03-18 13:55 xavier
* [r3908] configure.ac: * Added a check for the inline keyword in
libxc.
2008-03-18 12:57 marques
* [r3906] configure.ac, src/Makefile.am, src/gga_x_am05.c,
testsuite/Makefile.am, testsuite/xc-reference.pl: Added
_experimental_ and _incomplete_ support for the AM05 functional.
For now, there is only exchange (correlation is actually simple),
and
I have no idea on how to write it for spin-polarized systems. I
have
contacted the authors of the functional to sort out the issues.
As AM05 needs a lambert function, I had to add a dependence on
the GSL.
I plan to remove it further on (I will have to copy the
function...)
2008-03-17 11:16 marques
* [r3901] src/gga.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_b88.c, src/gga_x_dk87.c, src/gga_x_g96.c,
src/gga_x_lg93.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pw86.c, src/gga_x_pw91.c, src/gga_x_rpbe.c,
src/gga_x_wc.c, src/gga_xc_edf1.c, src/gga_xc_xlyp.c,
src/hyb_gga.c, src/libxc_master.F90, src/mgga_c_tpss.c,
src/work_gga_x.c, src/xc.h, src/xc_f.c,
testsuite/xc-consistency.c, testsuite/xc-get_data.c,
testsuite/xc-reference.pl: First attempt at fxcs using GGAs. For
now, two functionals are
implemented: B88 and LB93. There are still some issues for spin
_unpolarized_, as I am not sure of some factors of 2.
2008-03-10 08:11 xavier
* [r3855] src/Makefile.am: This should fix the compilation problems
in libxc.
2008-03-10 00:43 xavier
* [r3853] src/Makefile.am, src/libxc.F90, src/libxc_master.F90:
Having both libxc.F90 and libxc.f90 confused automake, so I
renamed libxc.F90 to libxc_master.F90 (for lack of a better
name).
2008-03-09 23:24 xavier
* [r3852] src/Makefile.am: File libxc.F90 was also missing from
Makefile.am.
2008-03-09 09:49 xavier
* [r3846] src/Makefile.am: One libxc file was missing from the
distribution.
2008-03-07 08:24 marques
* [r3836] src/Makefile.am, src/xc_s.h: Let's see if aramis is able
to compile in single precision mode like
this
2008-03-06 11:59 xavier
* [r3832] src/Makefile.am: Libxc still had problem with vpaths,
this fixes it (I don't know if it
is the correct way to do it, though).
2008-03-06 08:55 marques
* [r3830] src/Makefile.am: I hope this solves the compilation issue
in pepita. I hate this vpath
thing!!!
2008-03-05 14:42 marques
* [r3823] src/Makefile.am: I hope this fixes the automatic
compilation
2008-03-05 08:38 marques
* [r3819] src/Makefile.am: Dependency missing in the makefile. Hope
this solves your problem,
Alberto...
2008-03-04 09:26 marques
* [r3810] configure.ac, src/Makefile.am, src/functionals.c,
src/get_funcs.pl, src/gga.c, src/gga_c_lyp.c, src/gga_c_p86.c,
src/gga_c_pbe.c, src/gga_c_pw91.c, src/gga_perdew.c,
src/gga_x_b86.c, src/gga_x_b86_mgc.c, src/gga_x_b88.c,
src/gga_x_dk87.c, src/gga_x_ft97.c, src/gga_x_g96.c,
src/gga_x_lg93.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pw86.c, src/gga_x_pw91.c, src/gga_x_rpbe.c,
src/gga_x_wc.c, src/gga_xc_edf1.c, src/gga_xc_hcth.c,
src/gga_xc_lb.c, src/gga_xc_xlyp.c, src/hyb_gga.c,
src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b3p86.c,
src/hyb_gga_xc_b3pw91.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c, src/hyb_gga_xc_x3lyp.c, src/lca.c,
src/lca_lch.c, src/lca_omc.c, src/lda.c, src/lda_c_amgb.c,
src/lda_c_hl.c, src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c,
src/lda_c_vwn.c, src/lda_c_wigner.c, src/lda_c_xalpha.c,
src/lda_x.c, src/lda_xc_teter93.c, src/libxc.F90,
src/libxc.f90.in, src/mgga.c, src/mgga_c_tpss.c,
src/mgga_x_tpss.c, src/util.c, src/util.h, src/work_gga_x.c,
src/xc.h, src/xc_config.h, src/xc_config.h.in, src/xc_f.c,
src/xc_s.h: Now we can compile libxc in both float and double.
This is accomplish by
adding _s_ to the name of the single precision routines. I did
not find
a way of overloading the routines in Fortran in order to provide
for a
single interface to both single and double.
P.S. Some tests are failing in my machine in single precision
(apparently unrelated to libxc), and the wavepacket test is
failing (in
double precision)
2008-03-03 09:04 marques
* [r3803] configure.ac, src/gga.c, src/gga_c_lyp.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c,
src/gga_perdew.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_b88.c, src/gga_x_dk87.c, src/gga_x_ft97.c,
src/gga_x_g96.c, src/gga_x_lg93.c, src/gga_x_optx.c,
src/gga_x_pbe.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_x_wc.c, src/gga_xc_edf1.c,
src/gga_xc_hcth.c, src/gga_xc_lb.c, src/gga_xc_xlyp.c,
src/hyb_gga.c, src/hyb_gga_xc_b3lyp.c, src/hyb_gga_xc_b3p86.c,
src/hyb_gga_xc_b3pw91.c, src/hyb_gga_xc_o3lyp.c,
src/hyb_gga_xc_pbeh.c, src/hyb_gga_xc_x3lyp.c, src/lca.c,
src/lca_lch.c, src/lca_omc.c, src/lda.c, src/lda_c_amgb.c,
src/lda_c_hl.c, src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c,
src/lda_c_vwn.c, src/lda_c_wigner.c, src/lda_c_xalpha.c,
src/lda_x.c, src/lda_xc_teter93.c, src/libxc.f90,
src/libxc.f90.in, src/mgga.c, src/mgga_c_tpss.c,
src/mgga_x_tpss.c, src/test.c, src/util.c, src/util.h,
src/work_gga_x.c, src/xc.h, src/xc_config.h.in, src/xc_f.c: Now
we can compile libxc either in single or in double precision. I
did
not like the previous way it was done, i.e, but having _dp and
_sp in
the routines and doing all the necessary conversions. I think
that this
is cleaner.
2008-02-20 09:31 marques
* [r3729] src/gga_x_pw91.c: Added the mPW functional. I still have
some doubts concerning the
constants in the functional (they were taken from
http://scsg20.unige.ch/~dulak/files/functionals.pdf), so they
will
eventually have to be checked.
2008-02-16 14:30 xavier
* [r3698] src/gga_c_pbe.c, src/gga_c_pw91.c, src/gga_perdew.c: The
declaration of "inline void" functions causes problems with the
Sun C compiler.
Patch submited by Marcin Dulak.
2008-02-15 13:37 marques
* [r3695] src/Makefile.am, src/lda_xc_teter93.c: *) Added support
for Ilya Tokatly's pressure as a measure of
localization. For this I reorganized the output layer of octopus.
I hope
it wortks ;)
*) Added the teter 93 functionals to libxc
2008-02-12 11:24 marques
* [r3681] src/Makefile.am: My previous commit was not correct:
xc_funcs.h should be installed, but
not included in the distribution.
2008-02-12 11:18 marques
* [r3680] src/Makefile.am: xc_funcs.h was not being installed.
2008-01-30 10:10 marques
* [r3668] src/gga_perdew.c: Bug correction from Jussi Enkovaara:
I found a small bug in the PBE of libxc. In the function
"perdew_params"
in the file "gga_perdew.c" the total gradient "pt->gdmt"
/* get gdmt = |nabla n| */
pt->gdmt = sigma[0];
if(pt->nspin == XC_POLARIZED) pt->gdmt += 2.0*sigma[1] +
sigma[2];
can become a small negative number (in my antiferromagnetic
system ~ -1e-20), and
the following square root produces then NaN. I fixed that with a
simple if
statement i.e.
/* get gdmt = |nabla n| */
pt->gdmt = sigma[0];
if(pt->nspin == XC_POLARIZED) pt->gdmt += 2.0*sigma[1] +
sigma[2];
if(pt->gdmt < 0.0) pt->gdmt = MIN_GRAD*MIN_GRAD;
pt->gdmt = sqrt(pt->gdmt);
2008-01-23 13:53 marques
* [r3661] src/xc_f.c: Another memory leak fixed, this time in
xc_f90_lda_end
2008-01-22 16:45 marques
* [r3654] src/lda.c: Another bug found by valgrind. Xavier, can you
check this one?
2008-01-09 13:12 marques
* [r3639] testsuite/gga_c_pw91.data, testsuite/xc-consistency.c,
testsuite/xc-get_data.c: *) Checking of hybrids is now performed
*) The guys at the functional repository now get the same PW91
functional as me, so I can commit their test file
2007-11-26 16:05 acastro
* [r3608] src/gga_c_pbe.c: The xlc IBM compiler complained about
using global variables within
"inline" functions. I just made a copy of the affected constant
definitions within the function bodies.
2007-11-23 20:39 xavier
* [r3598] configure.ac, m4/acx.m4, testsuite/xc-get_data.c: * Now
instead of using an integer of the size of a C pointer, there
exists an opaque c_pointer_t type that has two methods
associated,
set_null and is_null. This is the same we have already for libxc.
* For the parser blocks there is a different type, block_t.
* The only exception is xc_functl_write_info where a pointer is
used
both as a pointer and an integer. The variable is defined as
integer(SIZEOF_VOIDP), but we should fix it.
* Removed the check for the non standard type 'long long' as a
candidate for equivalence fortran integer, in theory this could
be a
problem, but is very likely that if a fortran integer is 8 bytes
also
a 'long' is 8 bytes. A better solution would be to check first if
long
long or int64_t are available, and then use them.
* Removed the check for the size of a pointer in C, instead the
size
of void * is measured using the standard macro.
With this changes octopus compiles with gcc -pedantic-errors.
2007-11-23 12:49 acastro
* [r3594] src/test.c: I was trying to compile in an opteron using
the Portland C compiler,
and I got problems with the SSE2 extensions ("Illegal
instructsion"?). I changed a bit the beak.h preprocessor test to
avoid
its usage. But Xavier, you may want to take a look at that
change.
The rest of the files are just "//" style comments, which the
Portland
C compiler does not accept. --This line, and those below, will be
ignored--
M src/beak/beak.h
M external_libs/libnbc/nbc_ialltoall.c
M external_libs/libnbc/nbc.c
M external_libs/libnbc/nbc_ibcast.c
M external_libs/libnbc/nbc_iallreduce.c
M libxc/src/test.c
2007-11-23 11:19 xavier
* [r3589] m4/acx.m4: * The variable ResponseMethod now validates
its value.
* The C minimizer code was doing some very illegal things with
pointers, now it is legal C89 code (at least for gcc -pedantic).
* Removed some compiler warnings.
2007-11-22 12:47 marques
* [r3587] TODO: Updated TODO list of libxc
2007-11-22 12:43 marques
* [r3586] src/Makefile.am, src/hyb_gga_xc_pbeh.c,
src/hyb_gga_xc_x3lyp.c: Two more hybrid functionals: PBE0 and
X3LYP. I have still a list of
another 7 hybrids to include.
2007-11-19 16:43 marques
* [r3554] src/gga_c_lyp.c, src/gga_c_pbe.c, src/gga_x_b86.c,
src/gga_x_b86_mgc.c, src/gga_x_b88.c, src/gga_x_dk87.c,
src/gga_x_ft97.c, src/gga_x_g96.c, src/gga_x_lg93.c,
src/gga_x_optx.c, src/gga_x_pbe.c, src/gga_x_pw86.c,
src/gga_x_pw91.c, src/gga_xc_hcth.c, src/hyb_gga.c,
src/lda_c_amgb.c, src/lda_c_hl.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_rpa.c, src/lda_c_vwn.c, src/lda_c_wigner.c,
src/lda_x.c: Made the references more uniform.
2007-11-19 14:33 marques
* [r3552] src/hyb_gga_xc_o3lyp.c: Forgot this file.
2007-11-19 14:32 marques
* [r3551] src/Makefile.am, src/functionals.c, src/get_funcs.pl,
src/hyb_gga.c, src/hyb_gga_b3pw91.c, src/hyb_gga_xc_b3lyp.c,
src/hyb_gga_xc_b3p86.c, src/hyb_gga_xc_b3pw91.c, src/libxc.f90,
src/xc_f.c: Now octopus can use hybrid functionals. The exact
exchange part is
handled within the OEP, while the rest is taken care by libxc. I
found
very hard to test these functionals. Quantum chemical
calculations use
basis sets and full potential. The ideal would be a 3D jellium
sphere,
or something like that. If you know of one such calculation...
I will now try to implement it using Hatree-Fock for the exact
exchange
part.
2007-11-16 16:43 marques
* [r3529] src/Makefile.am, src/get_funcs.pl, src/gga.c,
src/gga_xc_lb.c, src/hyb_gga.c, src/hyb_gga_b3pw91.c, src/util.h,
src/xc.h: Initial support for hybrids. I also implemented B3PW91,
which
historically was the first hybrid (I think). This is not at all
tested,
of course.
2007-11-15 15:58 marques
* [r3522] src/get_funcs.pl, src/gga.c, src/gga_xc_lb.c,
src/libxc.f90, src/xc.h, src/xc_f.c: The LB94 functionals is now
working. There are two versions, one
modified and another unmodified. The unmodified gives the same
results
as my 2001 calculations. I did not test the modified version,
though.
I made some more cosmetic arrangements, like adding the "_m" and
"_t"
suffixes to libxc.F90
2007-11-14 16:14 lorenzen
* [r3513] m4/acx.m4: Bugfix: I had to insert the $LDFLAGS at two
more spots in the libxc AC macros.
2007-11-14 15:14 lorenzen
* [r3511] m4/acx.m4: Bugfix: the check for Fortran integer size in
libxc configure forgot about
$LDFLAGS during linkage.
2007-11-12 11:30 marques
* [r3494] src/Makefile.am: Dependecy missing: when compiling
without fortran, xc_funcs.h was not
generated.
2007-11-12 10:57 marques
* [r3492] src/Makefile.am, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_perdew.c, src/util.h: I built a common
framework for John Perdew's functionals. This
simplified a lot both PBE and PW91.
Incidentally, I found why my implementation of PW91 (correlation)
was
giving slightly different results than the reference
implementation in
the Density functional repository of Daresbury. It is related to
the
number of digits in one constant. I believe the error is in the
repository, but I mailed them to sort out this issue.
2007-10-26 16:08 lorenzen
* [r3432] src/Makefile.am: Bugfix: this change repairs the make
distcheck target, so the distcheck Bot
should not fail anymore.
Some dependencies had to be made explicit because Automake's
dependency tracking only has limited support for built headers.
2007-10-25 13:51 marques
* [r3418] Makefile.am, TODO: Added a TODO file
2007-10-25 13:32 marques
* [r3417] src/Makefile.am, src/gga_x_wc.c, src/gga_xc_edf1.c,
src/gga_xc_xlyp.c: Two new functionals GGA functionals:
Wu & Cohen
XLYP
2007-10-24 10:14 xavier
* [r3395] src/gga_c_pw91.c: Small fixes:
* Inline functions can't use static global variables.
* Removed unused multigrid code and added some debug info.
* Assembler is now preprocessed using FCCPP, this is because Sun
C
compiler (cc -E) gets hanged with .S files.
* Workaround for a bug in gfortran openmp support.
* Fixed a misspelled openmp clause.
2007-10-21 17:57 acastro
* [r3388] src, testsuite: Added some new generated files to the
svn:ignore lists.
2007-10-18 09:47 marques
* [r3376] src/Makefile.am, src/gga.c, src/gga_c_lyp.c,
src/gga_x_b88.c, src/gga_xc_edf1.c, src/gga_xc_lb.c, src/util.h,
src/xc.h, testsuite/Makefile.am, testsuite/gga_xc_edf1.data:
Added EDF1 functional. This is again a fit, this time by Adamson,
Gill,
and Pople.
2007-10-17 12:03 marques
* [r3372] COPYING, src/functionals.c, src/get_funcs.pl, src/gga.c,
src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pbe.c,
src/gga_c_pw91.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c,
src/gga_x_b88.c, src/gga_x_dk87.c, src/gga_x_ft97.c,
src/gga_x_g96.c, src/gga_x_lg93.c, src/gga_x_optx.c,
src/gga_x_pbe.c, src/gga_x_pw86.c, src/gga_x_pw91.c,
src/gga_x_rpbe.c, src/gga_xc_hcth.c, src/gga_xc_lb.c, src/lca.c,
src/lca_lch.c, src/lca_omc.c, src/lda.c, src/lda_c_amgb.c,
src/lda_c_hl.c, src/lda_c_pw.c, src/lda_c_pz.c, src/lda_c_rpa.c,
src/lda_c_vwn.c, src/lda_c_wigner.c, src/lda_c_xalpha.c,
src/lda_x.c, src/mgga.c, src/mgga_c_tpss.c, src/mgga_x_tpss.c,
src/test.c, src/util.c, src/util.h, src/work_gga_x.c, src/xc.h,
src/xc_f.c, testsuite/xc-consistency.c, testsuite/xc-get_data.c,
testsuite/xc-reference.pl: I changed the license to the LGPL 3.0.
I will also do that to libparser.
I think that the LGPL is a bit better for these licenses if one
wants
them to be included in other (non-GPL) programs.
Note: I added only me to the copyright line, as most of the work
in this
library has been done by me. If, however, if you changed any of
the
files and want your name to appear, please add it.
2007-10-17 10:59 marques
* [r3370] src/Makefile.am, src/gga_lb.c, src/gga_xc_hcth.c,
src/gga_xc_lb.c, testsuite/gga_xc_hcth_120.data,
testsuite/gga_xc_hcth_147.data, testsuite/gga_xc_hcth_407.data,
testsuite/gga_xc_hcth_93.data: Added the HCTH class of
functionals. These are fits to several
(sometimes 407) molecules. They seem to be the most precise GGAs
for a large class of molecules.
2007-10-16 14:54 xavier
* [r3367] src/Makefile.am, src/libxc.f90: Now the libxc_funcs
module is used through libxc. As libxc is a
standalone we should have a simple (and constant) interface.
2007-10-16 13:53 marques
* [r3365] src/Makefile.am, src/gga.c, src/gga_c_pw91.c,
src/gga_lb.c, testsuite/xc-reference.pl: Added pw91 correlation
functional. Sometimes, I get differences in the
9th digit when compared to reference values. I am not sure if it
is a
real bug or not.
2007-10-16 07:08 acastro
* [r3364] src/Makefile.am: The package created by "make dist" did
not contain the get_funcs.pl
script.
2007-10-16 03:02 acastro
* [r3363] src/Makefile.am: Depending on which machine I built the
code (from scratch, doing
autoreconf + configure + make) I got an error... I think the
problem is in the use of "+=" to define variables in automake,
and in the resulting ordering of the compilation (the file
xc_funcs.h is not created before it is needed).
I think it is more robust in this way.
2007-10-15 17:41 lorenzen
* [r3360] src/Makefile.am, src/get_funcs.pl, src/lca.c,
src/lca_lch.c, src/lca_omc.c, src/mgga_c_tpss.c,
src/mgga_x_tpss.c: The mgga and lca files were not processed. I
don't know if this
was intentionally but at least Octopus wants them.
2007-10-15 16:19 lorenzen
* [r3359] src/Makefile.am, src/get_funcs.pl: This fixes the build
problems with the automatically
generated interface files for libxc. The problem was that
the interface files were built in the source tree and not
in the build tree. Now, $(srcdir) and $(top_builddir) are
passed to the get_funcs.pl script.
Passing these two variables is nearly always necessary when
writing scripts like these.
2007-10-15 15:20 marques
* [r3358] src/get_funcs.pl, src/gga_c_p86.c, src/gga_c_pbe.c,
testsuite/xc-reference.pl, testsuite/xc-run_testsuite: I hope to
have fixed the compilation issue now.
2007-10-15 14:54 marques
* [r3357] src/gga_c_p86.c, src/gga_c_pbe.c: I wonder if this solves
the problem with the compilation now
2007-10-15 14:20 xavier
* [r3356] src/Makefile.am: This fixes compilation of libxc when
building outside the sources
directory. I don't know if it is the correct way to solve it,
though.
2007-10-15 13:37 marques
* [r3354] src/work_gga_x.c: Forgot this file...
2007-10-15 13:36 marques
* [r3353] src/Makefile.am, src/get_funcs.pl, src/gga_c_lyp.c,
src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_lb.c, src/gga_x.c,
src/gga_x_b86.c, src/gga_x_b86_mgc.c, src/gga_x_b88.c,
src/gga_x_dk87.c, src/gga_x_ft97.c, src/gga_x_g96.c,
src/gga_x_lg93.c, src/gga_x_optx.c, src/gga_x_pbe.c,
src/gga_x_pw86.c, src/gga_x_pw91.c, src/gga_x_rpbe.c, src/lda.c,
src/lda_c_amgb.c, src/lda_c_hl.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_rpa.c, src/lda_c_vwn.c, src/lda_c_wigner.c,
src/lda_c_xalpha.c, src/lda_funcs.c, src/lda_x.c, src/libxc.f90,
src/xc.h: Now there is a file per functional. I also added a perl
script that allows to generate
automatically the interfaces. Like this, in order to add a
functional we do not have to touch
any other part of the code. One just has to add a single file!
2007-10-15 09:48 marques
* [r3352] src/gga.c, src/gga_c_pbe.c, src/gga_x.c, src/libxc.f90,
src/xc.h: Added two more functionals: PBE_SOL (x and c), and RPBE
(x)
2007-10-08 18:25 xavier
* [r3322] m4/acx.m4: Bugfix: CFLAGS were not properly passed in
some macros. This can cause
problems if one of your flags is -m32.
2007-09-01 19:36 xavier
* [r3156] src/lda.c: More fixes to the single precision version.
Now it is possible to run
gs calculations without segfaults.
2007-09-01 13:16 xavier
* [r3154] src/gga.c, src/gga_lb.c, src/lca.c, src/libxc.f90,
src/mgga.c, src/xc.h, src/xc_f.c: Added a single precision
interface for the rest of libxc calls.
2007-09-01 11:17 xavier
* [r3153] src/lda.c: Fixed a bug in my previous commit.
2007-09-01 10:29 xavier
* [r3152] src/lda.c, src/lda_c_amgb.c, src/lda_c_pw.c,
src/lda_c_pz.c, src/lda_c_vwn.c, src/lda_funcs.c, src/lda_x.c,
src/libxc.f90, src/util.c, src/util.h, src/xc.h, src/xc_f.c: *
Added single precision interface lda functions in libxc, for the
C
interface functions with an extra _sp are single precision, for
Fortran polymorphism is used.
* Declared input arguments as const for lda functions in libxc.
2007-07-25 08:10 xavier
* [r3102] src/util.h: Bugfix: M_SQRT2 was not available for libxc
when the C compiler is in
ANSI mode. Reported by GPAW developers.
2007-07-04 09:26 lorenzen
* [r3065] src/Makefile.am, testsuite/xc-run_testsuite: * Added an
environment variable SKIP_CHECK that can be set
during a make distcheck to omit the testsuites:
$ DISTCHECK_CONFIGURE_FLAGS="..." SKIP_CHECK=yes make distcheck
This change is to provide the possibility to let the BuildBot
run make distcheck regularly without the testsuites (just to
find forgotten files in the Makefile.ams).
this environment variable is honoured in testsuite/Makefile.am
and libxc/testsuite/xc-run_testsuite.
* Fixed a bug in the clean-local rule in share/PP.
* Added *.mod and others to CLEANFILES in libxc/srx/Makefile.am
2007-06-19 08:50 acastro
* [r3008] src: Finally, also (most of) the files generated by a
typical "make" will
also be ignored by the svn commands by including them in the
svn:ignore lists.
2007-06-19 08:06 acastro
* [r3007] src, testsuite: Now (almost all) the files generated by
configure are also included in
the svn:ignore properties.
2007-06-19 07:58 acastro
* [r3006] ., src, testsuite: Added to the svn:ignore property of
several directories the files
generated by autoreconf.
2007-06-19 07:52 acastro
* [r3005] .cvsignore: Removed the .cvsignore files, useless since a
lot of time
ago, I guess.
2007-06-14 16:26 xavier
* [r2999] src/libxc.f90: Bugfix in libxc: The interface of
xc_f90_lda was incorrect and the interface of
xc_f90_lda_vxc was missing.
2007-06-14 11:11 xavier
* [r2998] configure.ac, src/Makefile.am: * Added some modifications
to libxc configuration files suggested by
Yann Poullion to ease the integration with Abinit.
2007-06-13 17:49 xavier
* [r2996] configure.ac, src/Makefile.am, src/libxc.f90: Moved the
fortran interface of libxc to the libxc/src/ directory. This
Instead of the C_POINTER, I defined some derived types (with a
pointer
inside), so in theory they should have enough space to hold a
pointer
but I have to test it. This approach is also more elegant as the
types
can't be passed incorrectly and their contents are private, so
the
user can't modify them without libxc.
2007-06-12 11:24 xavier
* [r2992] configure.ac, src/xc_f.c: Bugfix: libxc was trying to
compile the fortran interface even when
--disable-fortran was specified.
2007-05-24 12:47 acastro
* [r2927] src/mgga_x_tpss.c: Removed C++ ("//") comments in favor
of old-style C comments ("/*
*/"), since some compilers refuse them.
2007-03-20 18:29 lorenzen
* [r2772] Makefile.am, src/Makefile.am, testsuite/Makefile.am,
testsuite/xc-reference.pl, testsuite/xc-run_testsuite: This is a
boring maintenance commit concerning the automake build and
distribution system. It is likely that some of the nightly builds
will
fail or that someone encounters building problems. In that case,
just
bug me, I feel in charge to fix that.
I wanted to get VPATH builds working, i. e. compiling in a
directory that
does not contain the source code. This makes it easily possible
to
configure and build a single source tree with lots of different
options
(avoiding tedious copying). VPATH is basically a GNU make feature
but
the Makfefile.ams have to follow certain restrictions to get it
working:
1. Relative file names should be constructed with the $(srcdir),
$(top_srcdir), $(builddir), $(top_builddir) variables.
2. Wildcards should not be used in automake variables. This means
that all source files have to be mentioned in the Makefile.am.
This
is a bit tiresome (especially in the PP directory) but it is
recommended in the GNU Coding Standard and considered good
practice.
So, please add any .inp and .test files you include in the
testsuite
to the corresponding Makefile.ams. This also holds for the .psf
files
(and the .hgh) if a new element should be discovered...
3. I had to change the way the variable documentation is
generated a bit.
The main thing was to add command-line flags to specify input and
output
directories to the var2html.pl and mk_varinfo.pl scripts.
4. Filename flags for the compilers (like -I) should not be added
to the
corresponding variable in the configure.ac but to the AM_ version
in
the approripate Makefile.am (or to its per target variant). This
makes use of $(srcdir), etc. possible. In some Makefile.ams the
compilation rule is redefined, in these cases, it has to be
checked if
the AM_ variant is included (e. g. src/Makefile.am).
There were some more things I ran across:
1. The testsuite can only be run after a make install because
the share data is not available otherwise. For that reason, I
replaced
the check target by an installcheck-local rule.
2. The oct-run_testsuite script used hardcoded paths, they are
now
patched by the configure script. So, the oct-run_testuite is
replaced
by oct-run_testsuite.in and the original script will disappear in
my
next commit.
3. The libxc testuite also needed some fixing to consider
different
source and build trees.
4. I completely removed the AC_CONFIG_SUBDIRS for the python
tree.
The conditional configuration of a subtree is a very subtle issue
as
automake does not support not configured subtrees. The
configure.ac and
Makefile.am of the python part seem to be in a very fragile
state, and as
it is not used anyway at the moment, I did not spend time to fix
them.
By the way, how is the state of the GUI? There is just few lines
of code
in the repository.
When it will be included again, I recommend just another
Makefile.am
and no subpackage configure. Necessary checks should be added to
our
main configure.ac (and can be skipped, if no GUI is requested).
The code now passes the distcheck target which is desireable.
2007-01-19 17:57 xavier
* [r2657] src/mgga_c_tpss.c: * Added reference to mgga_c_tpss
* Changed indentifier from i to u for the output of a size_t
value in write_iter.c.
* This fixes #8 , the rest of the bugs were already fixed.
2006-11-18 17:39 xavier
* [r2591] testsuite/xc-get_data.c: Optimization:
* Wrote a C version of dnl_operator_operate. The inner loop is
unrolled by hand to depth 3 and prefetching directives are used
to
keep the array of weights in the cache.
For a test case (benzene gs with non interacting electrons, h=2.0
r=6.0), total performance was increased by a factor of 1.47 for
ifort
9.1 and by a factor of 2.2 for gfortran (p4 3.0GHz). In both
cases
gcc-4.1 was used.
The new function is not enabled by default yet, but it is
selected by
the input variable OperateFunction, values can be either
'fortran' or
'c'.
* Configure detects the presence of builtin functions
__builtin_expect
and __builtin_prefetch in the C compiler. If they are not found,
alternative dummy macros are provided.
Fixed a couple of bugs revealed by gcc-2.95:
* Assert is not always available in C. Put a check in
configure.ac.
* Move a declaration to the beginning of the function.
2006-11-12 12:36 xavier
* [r2570] src/xc.h: Libxc header is now usable from C++.
2006-10-26 10:49 marques
* [r2519] src/gga_c_p86.c, src/gga_c_pbe.c: Added a workaround so
that the functionals do not return NaN when
sigma=0.
2006-10-25 08:48 marques
* [r2518] src/lda.c, src/lda_funcs.c: Slater's Xalpha functional
was not working, so the test was failing.
The test testsuite/finite_systems_3d/11-sic.test seems a bit
weird to
me. The functional used is Slater's Xalpha with alpha=2/3, which
means
that it only uses exchange (it would be easier to put
Cfunctional=none
;) Is this really the functional used in the reference (that I
corrected, BTW)?
2006-10-23 15:56 marques
* [r2512] src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_lb.c,
src/lca.c, src/lda.c, src/lda_c_amgb.c, src/lda_c_pw.c,
src/lda_funcs.c, src/lda_x.c, src/mgga_c_tpss.c,
src/mgga_x_tpss.c, src/util.h, src/xc.h, src/xc_f.c,
testsuite/gga_c_pbe.data, testsuite/gga_c_pbe.data-disabled,
testsuite/xc-consistency.c, testsuite/xc-get_data.c: I am
resyncing my tree that started diverging ;)
*) Further cleanup of libxc. Now it was fxc that now has only 3
components (uu, ud, dd) for spin-polarized calculations. This
amounted
to changes in libxc and in octopus. Note that kxc is still not
changed.
It should include only the independent elements! Maybe Xavier
would like
to do it ;))
*) Added a Perdew Wang modified lda functional. This is the
functional
used by Kieron in his implementation of the PBE (that i assume is
the
reference), and that is different from the published functional
(different number of digits in some costants, and he even has
incompatible definitions for the same constants). In this way,
the PBE
now gives the same as the reference numbers, so I rehabilitated
the
test. The differences to the previous implementation are very
small (4th
or 5th digit, but anyway...)
*) Now we can have all-electron species also in 1 and 2
dimensions.
2006-10-16 11:11 marques
* [r2501] src/gga.c, src/gga_x.c, src/xc.h,
testsuite/gga_x_ft97_b.data: Todays functional is the exchange
part of the Filatov & Thiel
functional (both A and B versions). At least the B version gives
the
same results are a reference implementation.
2006-10-15 08:57 marques
* [r2496] src/gga_x.c: Hopefully, this fixes the compilation errors
of the last couple of
nightly builds. Trivial changes.
2006-10-13 14:13 marques
* [r2492] src/Makefile.am, src/gga_c_pbe.c, src/gga_pbe.c,
src/gga_x.c, src/gga_x_b86.c: I believe that these file names are
more convinient.
2006-10-13 09:32 marques
* [r2491] src/Makefile.am, src/gga.c, src/gga_c_p86.c,
src/gga_pbe.c, src/lda_x.c, src/xc.h, testsuite/gga_c_p86.data:
Today's functional is Perdew 86. For this one I have reference
data, so
I can be pretty sure it is well implemented...
2006-10-12 09:19 marques
* [r2489] src/gga.c, src/gga_x_b86.c, src/xc.h: Another little
exchange functional: Lacks & Gordon 1993. The list of GGA
exchange
functionals to go is decreasing, but I still have the GGA
correlation (another 10
functionals), and the metaGGAs (probably another 15
functionals)... life is hard ;)
2006-10-11 11:00 marques
* [r2486] src/gga.c, src/gga_x_b86.c, src/xc.h: Today's new
functional is dePristo & Kress 87 in two different versions.
2006-10-10 08:15 marques
* [r2480] src/gga.c, src/gga_x_b86.c, src/xc.h: Added the OPTX
exchange functional (Handy & Cohen 2001) asked by
Angelica.
2006-10-09 07:43 marques
* [r2478] m4/acx.m4, src/gga_pbe.c, src/gga_x_b86.c: *) The nightly
build using ifc was not working due to the infamous
"static" flag, and subsequent problems with the pthread library.
I could
not solve cleanly the problem, so I made a workaround: the
configure
script doe not die, and assumes 4 byte ints.
*) A couple of references added/corrected in libxc
2006-10-06 16:53 marques
* [r2472] m4/acx.m4: I believe that Axel copied an old version of
acx.m4. This is the correct
version...
2006-10-06 16:34 marques
* [r2471] configure.ac, src/gga.c, src/gga_x_b86.c, src/xc.h,
testsuite/gga_x_pw91.data: Sorry, there are several things in
this commit:
*) I finally understood the problem that Alberto was having. The
variable i in xc_functl_write_info was used for two things. In
the first
it should be a normal integer, and in the second it should be a
pointer.
That is why the code was crashing. I simply solved the problem by
using
two variables with different names.
*) Added a macro called C_POINTER that has the obvious meaning of
integer(POINTER_SIZE). I also changed all occurences in the code
of
integer(POINTER_SIZE) to C_POINTER. I believe it is much more
readable
like that.
*) Added two new functionals, Perdew Wang 86 and the exchange
part of
Perdew Wang 91. I think the introduction of new functionals will
slow
down now ;)
2006-10-06 16:12 athimm
* [r2470] AUTHORS, COPYING, INSTALL, NEWS, m4/acx.m4: Convert
symlinks to regular files to please bitten.
There is a bug in trac's API concerning extracting properties of
nodes
containing the metadata.
2006-10-06 10:56 marques
* [r2469] configure.ac, src/functionals.c, src/xc.h, src/xc_f.c,
testsuite/xc-get_data.c: *) Added automatic detection of the C
type that corresponds to the
Fortran type "integer". xc_f.c was the changed to use this macro.
This
should, hopefully, solve our previous problems. Now libxc has all
arguments "pure" Fortran integers.
I tested this changes in i386 (ifc7.1), x64 (pathscale, nag, and
gfortran), and it passed all tests (with the exception of the
hyperpolarizability test that failed in ifc7.1 and *pathscale*,
but
Xavier alerady knows about it).
*) Bug fix in xc-get_data.c. A missing "#include " was
making
the xc tests fail sometimes.
2006-10-05 11:14 marques
* [r2463] src/Makefile.am, src/functionals.c, src/gga.c,
src/gga_c_lyp.c, src/gga_lb.c, src/gga_pbe.c, src/gga_x_b86.c,
src/lca.c, src/lca_lch.c, src/lca_omc.c, src/lda.c,
src/lda_c_amgb.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_vwn.c, src/lda_funcs.c, src/lda_x.c, src/mgga.c,
src/mgga_c_tpss.c, src/mgga_x_tpss.c, src/util.h, src/xc.h,
src/xc_f.c, testsuite/xc-consistency.c, testsuite/xc-get_data.c:
*) changed the names of all exported routines of libxc to xc_XXX,
and
the F90 variants as xc-f90_XXX. Now it looks more like a library
;)
This, of course, amountd to a lot of small changes in the code...
*) pursuing a problem with the exchange part of the PBE (a
division by
zero), I decided to dump the old routine and to implement it in
the more
general framework of "Becke 86-like functionals". It is now 5
lines of
code!
2006-10-04 14:09 marques
* [r2457] src/gga.c, src/gga_c_lyp.c, src/gga_lb.c, src/gga_pbe.c,
src/gga_x_b86.c, src/lca.c, src/lca_lch.c, src/lca_omc.c,
src/lda.c, src/lda_c_amgb.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_vwn.c, src/lda_funcs.c, src/lda_x.c, src/mgga_c_tpss.c,
src/mgga_x_tpss.c, src/util.h, src/xc.h, src/xc_f.c,
testsuite/Makefile.am, testsuite/xc-consistency.c,
testsuite/xc-get_data.c, testsuite/xc-reference.pl,
testsuite/xc-run_regression_test.pl, testsuite/xc-run_testsuite:
*) Added a consistency cjeck on the functionals. Basic it is a
script
that calculates vxc using finite differences, calls libxc for the
analitic functional and compares the difference. By now, three
functionals give problems PBE (exchange) has some NAN lingering
around;
PBE (correlation) and G96 have large deviations from the fd
results.
*) Added a "provides" line to func_type. This is, e.g.,
"XC_PROVIDES_EXC
| XC_PROVIDES_VXC". In this way, the upper level can know if it
has to
calculate something using finite differences.
2006-10-03 14:49 marques
* [r2453] src/gga_c_lyp.c: Fixed the problems with the LYP
functional when rho[is]=0.
2006-10-03 14:48 marques
* [r2452] testsuite/gga_c_pbe.data,
testsuite/gga_c_pbe.data-disabled,
testsuite/xc-run_regression_test.pl: * Disabled the test of the
correlation part of the PBE. I get
differences in teh 4th or 5th digit that I do not understand...
* Changed the way the tests were done, so that they are now
really
passed.
2006-10-02 22:28 marques
* [r2449] src/functionals.c: Forgot this file...
2006-10-02 22:26 marques
* [r2448] src/Makefile.am, src/gga.c, src/gga_c_lyp.c,
src/gga_lb.c, src/gga_pbe.c, src/gga_x_b86.c, src/gga_x_b88.c,
src/lda.c, src/lda_funcs.c, src/util.h, src/xc.h, src/xc_f.c,
testsuite/gga_c_lyp.data, testsuite/xc-run_regression_test.pl:
Next iteration of libxc
*) Merged several functionals (B86, B88, G96 and variants) in one
routine as they are all of the same form
*) Added a routine family_from_id that simplifies initialization
of the
functionals
*) Added the functionals Gill 96 (anyone heard about this one?)
and LYP.
The LYP functional still has problems when the density is zero in
one of
the spin channels. So, please don't use if until I fix it.
*) Made the corresponding changes on the fortran side. Octopus
cannow
use all the functionals in libxc.
2006-09-29 13:44 marques
* [r2441] Makefile.am, configure.ac, gga.c, gga_lb.c, gga_pbe.c,
gga_x_b88.c, lca.c, lca_lch.c, lca_omc.c, lda.c, lda_c_amgb.c,
lda_c_pw.c, lda_c_pz.c, lda_c_vwn.c, lda_funcs.c, lda_x.c,
mgga.c, mgga_c_tpss.c, mgga_x_tpss.c, src, src/Makefile.am,
src/gga.c, src/gga_lb.c, src/gga_pbe.c, src/gga_x_b86.c,
src/gga_x_b88.c, src/lca.c, src/lca_lch.c, src/lca_omc.c,
src/lda.c, src/lda_c_amgb.c, src/lda_c_pw.c, src/lda_c_pz.c,
src/lda_c_vwn.c, src/lda_funcs.c, src/lda_x.c, src/mgga.c,
src/mgga_c_tpss.c, src/mgga_x_tpss.c, src/test.c, src/util.c,
src/util.h, src/xc.h, src/xc_f.c, test.c, testsuite/Makefile.am,
testsuite/xc-get_data.c, testsuite/xc-run_regression_test.pl,
util.c, util.h, xc.h, xc_f.c: Next iteration in libxc. In this
new version I have:
*) Moved source files to the directory src/. It is neater that
way
*) Delete the LDA speedup thing that Alberto had implemented, but
which
he agreed to delete
*) Added two more functionals: Becke 86 and Becke 86 reoptimized
*) GGAs are now handled in the same way as LDAs
2006-09-28 13:58 marques
* [r2435] gga_lb.c, gga_pbe.c, gga_x_b88.c, lda.c, lda_c_amgb.c,
lda_c_pw.c, lda_c_pz.c, lda_c_vwn.c, lda_funcs.c, lda_x.c,
mgga_x_tpss.c, testsuite/xc-get_data.c, util.h, xc.h, xc_f.c:
Started a big cleaning in order to make libxc a bit more
elegant.Basically, there is now a mechanism to initialize, run
the
functional, and terminate it. In this way, there are no more the
horrendous switch statements in lda.c. The job is not finished
yet.
2006-09-28 11:06 marques
* [r2434] Makefile.am, gga.c, gga_lb.c, gga_pbe.c, gga_x_b88.c,
testsuite/gga_c_pbe.data, testsuite/gga_x_b88.data,
testsuite/gga_x_pbe.data, testsuite/lda_c_pw.data,
testsuite/xc-get_data.c, testsuite/xc-run_regression_test.pl,
util.h, xc.h: *) Added Becke 88 to libxc. However, this
functional is still not called
from octopus. That will come later.
*) The GGAs are now also tested. The exchange PBE and B88 pass
all test
without problems. The correlation part of the PBE does not,
however. The
differences are small (5th digit or so), so you may relax ;) In
any
case, I believe that the problem is, in fact, the "reference"
implementation that has an inconsistency in the constants it
uses...
2006-09-26 14:26 marques
* [r2431] Makefile.am, configure.ac, lda.c, lda_c_pz.c,
lda_c_vwn.c, lda_x.c, testsuite, testsuite/Makefile.am,
testsuite/lda_c_pz.data, testsuite/lda_c_vwn.data,
testsuite/lda_c_vwn_rpa.data, testsuite/lda_x.data,
testsuite/xc-get_data.c, testsuite/xc-run_regression_test.pl,
testsuite/xc-run_testsuite, util.h, xc.h: The most important part
of this commit is the inclusion of tests for
some LDA functionals. The calculated value of these functionals
is
compared to reference data that can be found in
http://www.cse.clrc.ac.uk/qcg/dft/.
Note that the tests do give some errors. This is related to fully
polarized cases, i.e., when rho_down=0. The reference data
hard-wires,
in this case, the value of vpot_down=0, which, in my opinion, is
not
correct. In any case, if the gas is fully polarized, the value of
vpot_down is irrelevant in this case ;)
There were some very small precision issues in a couple of
functionals
that I adjusted in order to match the reference data.
In the process I added two new LDA "functionals":
*) lda_c_pz_mod. This is the version of the Perdew Zunger
functional
modified by Alberto to match better the low and high rs regions
of the
parametrization. This is the old pz that we had in the code. The
original PZ functional is called lda_c_pz. Note that the default
is the
corrected functional.
*) lda_c_vwn_rpa. This is a parametrization of the RPA
correlation
energy using the VWN form, and that is also present in the
original
paper.
Soon I will start playing with the GGAs ;)
2006-09-25 08:18 marques
* [r2425] AUTHORS, COPYING, ChangeLog, INSTALL, Makefile.am, NEWS,
README, configure.ac, m4, m4/acx.m4: First step in Making libxc
independent. Now it contains its own
configuration script. There are, however, several things still to
clean.
2006-06-18 11:32 athimm
* [r2222] .: Exclude build-aux from entering svn.
2006-06-01 09:06 xavier
* [r2175] lca.c: Portability fix, variable declaration was not in
the beginning of file.
2006-05-24 10:16 athimm
* [r2150] Makefile.am: a) python and xml
- Make python conditional, on by default.
Use --disable-python to turn off python (see ./configure --help)
- Remove variables.xml generation from main code, make it
python-private. variables.xml are only used by the GUI. Let it
live
under share for now, we'll see were we'll put it in the future,
perhaps it will be removed altogether.
b) Add some vpath fixes
2006-05-19 15:17 athimm
* [r2118] .: Update svn:ignore recursively.
2006-05-14 10:52 athimm
* [r2074] .: Ignore config.h stamp file.
2006-05-12 18:41 athimm
* [r2064] ., .cvsignore: Sanitize .cvsignore and recursively feed
svn:ignore with them.
The entries mirror the school of not committing generated files
into
the repository. Whether this is good or bad needs to be decided,
and
I'm probably in favour of adding them (as well as maintainer-mode
protection), but until this is agreed upon the current curse is
`minimal'.
2006-04-08 19:42 acastro
* [r1993] gga_pbe.c, lda.c, test.c, xc_f.c: Some more profiling
tags, and some unimportant changes. For example, now
the wavefunctions are not randomly generated if then a LCAO
calculation
is going to be performed.
2006-04-05 13:52 acastro
* [r1983] lda.c, lda_x.c, xc.h, xc_f.c: The option to interpolated
the LDA functionals instead of recalculating
them every time is now compiled always, although it is only used
if the InterpolateLDA is set to yes.
I will experiment with it for a few months to see if it is
worthed to
keep it as an option.
2006-04-04 19:59 acastro
* [r1981] lda.c: Still one bug.
2006-04-04 19:42 acastro
* [r1980] gga_lb.c, gga_pbe.c, lda_funcs.c, lda_x.c, mgga_x_tpss.c,
test.c, xc.h, xc_f.c: The XAlpha correlation functional was badly
calculated when code was
compiled with the "LDA_SPEEDUP" preprocessor flag. This option is
still
way too experimental to be compiled by default. If you want to
try it,
you have to define LDA_SPEEDUP (for example, setting
CPPFLAGS="-DLDA_SPEEDUP" when configuring).
2006-03-21 11:51 micael
* [r1940] gga_lb.c, gga_pbe.c, lda.c, lda_funcs.c, lda_x.c,
mgga_x_tpss.c, util.h, xc.h, xc_f.c: *) Syncing the libxc in APE
with the one in Octopus.
This new version includes the relativistic correction to the LDA
exchange functional.
This is not really important for Octopus (at least for the time
being) but it is
necessary for APE.
2006-03-07 18:41 acastro
* [r1882] lda_c_vwn.c: Bug fixed.
The Vosko/Wilk/Nusair xc potential had a bug related to units.
Every time the initialization function was called, some
"constant" was
divided by two, in order to go from rydbergs to atomic units. But
the
inialization function is called twice by octopus, so the result
was
a factor of four.
2006-01-31 11:11 acastro
* [r1798] gga_lb.c: Bug fixed.
Removed the 05-Na2_LB94_Casida bug.
The LB94 is still rather under suspiscion, in any case.
I don't know why the bug was there, in fact, it looked that the
code
that I removed was there for a reason, but I could not trace it
down
because it was there since the first revision...
2005-11-28 11:03 marques
* [r1727] lda.c, lda_c_vwn.c, lda_x.c, test.c: *) very tiny bug
corrected in VWN (one of the constants was wrong in the 5th
digit)
*) fxc is now calculated numerically a bit better in case of the
ferromagnetic gas. Actually I don't really know how to handle
this case properly, as fxc should diverge (at least fx).
2005-11-12 19:47 acastro
* [r1651] lda_c_amgb.c: Bug fixed.
One wrong character kept me busy the whole afternoon.
2005-11-09 09:13 marques
* [r1643] lda.c, xc.h, xc_f.c: *) Alberto, I think that the "break"
in the fxc calculation should be a
"continue" (i.e., he should skip the rest of the current cycle,
but
should get out of the cycle). Can you please check?
*) Xavier, I guess that the calculation of Kxc should have a
similar to
the one Alberto put in for fxc. Can you please check?
*) I cleaned a little bit the includes, whitespaces, and changed
"(*p)." to
"p->" as it is more C-like.
2005-11-08 22:01 acastro
* [r1642] lda.c: Bug fixed.
The numerical functional derivation was not working properly in
some
spin-polarized cases (Perdew-Zunger parameterization, Na4(+1), it
was
just giving lots of NaN). Now, at least for those cases, it seems
to
work. I still have to do some more testing on the Casida module,
though.
In any case, the PZ kernel should be obtained analytically. Maybe
in the
future.
2005-10-18 12:51 xavier
* [r1571] lda.c, util.h, xc.h, xc_f.c: Added Kxc, the third
derivatives of Exc, to libxc. It's calculated using a
second order numerical derivative of Vxc.
2005-10-12 13:43 marques
* [r1555] lda_c_pw.c: There was a sign wrong in the definition of
pw92.
Micael, can you please test this functional?
2005-10-12 09:10 marques
* [r1553] Makefile.am: Some cleaning:
*) test.x is no longer generated in libxc/
*) changed the names of several single character variables.
Please *do not*
call a variable a, b, n, c or whatever!!!!
*) I noticed that some of you had tabs of 3 and 4 spaces. Do not
forget that
the default we agreed upon some years ago was *2*. Please change
you emacs
settings!
2005-09-05 16:36 acastro
* [r1366] Makefile.am: It seems that the test_x_LINK variable needs
to be defined in this way
so that the executable is actually built.
2005-08-30 14:24 acastro
* [r1347] Makefile.am: Since the test.x program is all C, it is
better to link with the C compiler.
Otherwise some Fortran compilers (i.e. the Intel 9.0 version)
seem to have
problems with a duplicated "main" function.
2005-07-11 13:23 acastro
* [r1256] test.c: The xyzanim utility was broken, at least in the
IBM machines. I put
an emergency fix. If I get time I will take a look at the
utilities, see how
the system labels affect them, and make up some tests for them.
Also, the IBM preprocessor had problems with the // comments in C
files..
2005-06-30 09:54 marques
* [r1221] util.h: There were a couple of misspells in function
names
2005-06-07 11:58 acastro
* [r1202] Makefile.am, xc_f.c: I forgot to change also this when I
changed the config.h stuff.
2005-05-17 09:55 appel
* [r1122] Makefile.am: Add $Id:$ tags to most of the files (right
below the GPL header). At every
commit cvs is replacing these tags with lines of the following
form
$Id: run_regression.pl,v 1.3 2005/05/12 10:23:59 marques Exp $
In this way it is easy to see who was the last person changing
the file, which
cvs revision the file has and at what date the last change was
made.
Miguel: Is there a reason why the *.c files in libxc/ don't have
a GPL header?
2005-04-06 16:33 marques
* [r1082] lca_lch.c, lca_omc.c: LOL! Calculating derivatives is
always a hassle, even if only of simple functions ;))) Please
recheck them.
2005-04-06 14:45 micael
* [r1080] Makefile.am, lca.c, lca_lch.c, lca_omc.c, util.h, xc.h,
xc_f.c: *) Added the Vignale-Rasolt functional for CDFT to libxc.
Two parametrizations
are available. This has *not* been tested carefully yet.
2005-04-04 12:57 acastro
* [r1075] mgga_c_tpss.c: [*] A small change in the
"nl_operator_operate" subroutines, which,
specially in the complex case, seems to speed up things
significantly.
But most likely it does so only in some architecutures/compilers.
In the
case of the Portland compiler for opterons, the speedup is rather
spectacular, probably because before the type conversion was very
slow (the opteron was running slower that my laptop!)
[*] In mgga_c_tpss, some Portland C compilers complained about
those
array definitions, I think it is more correct now.
2005-03-28 10:47 acastro
* [r1062] Makefile.am, lda.c, lda_x.c, xc.h, xc_f.c: A pretty sick
performance hack.
The idea is the following: instead of calculating the LDA
functionals
everytime, one can "spline" them at the beginning, and then
interpolate
every time, since they are very smooth functions. Some comments:
(*) The calculation of the LDA exchange and correlation
functionals do
not take a significant calculation time, *except* if one wants to
use the
SIC+LDA within the OEP/KLI approximation for a big molecule.
(*) This commit is still experimental, and in fact the code is
still
exactly the same as it was, if you do not compile adding the
LDA_SPEEDUP
preprocessor variable (by doing CFLAGS="-O3 -DLDA_SPEEDUP", for
example).
So you do not have to worry at all about this for the moment...
I will make sure that it works well and that it makes sense
before making
it definive.
2005-03-17 20:32 marques
* [r1049] xc_f.c: This file was missing from the previous commit.
2005-03-17 17:33 marques
* [r1045] lda.c: Just a small rearrangement.
2005-03-17 17:23 marques
* [r1044] gga_lb.c, gga_pbe.c, lda.c, lda_c_pw.c, lda_funcs.c,
lda_x.c, mgga_x_tpss.c, test.c, util.h, xc.h, xc_f.c: *) Removed
"relativistic exchange", as, I am not mistaken, the potential was
wrong.
*) Added support for LDA fxc. For now, fxc for exchange and
Perdew Wang
correlation are analytical, while the rest is calculated through
finite
differences. Honestly, from the tests I've made, I am inclined to
believe
that it is actually better to get the numerical derivative.
(However, I
would not throw away the work of a full day, would I ;)
2005-02-22 12:03 acastro
* [r1015] lda_funcs.c: Bug fixed.
A small bug in the definition of the Slater Xalpha potential.
(Before it just added again the excahnge fucntional)
Also, I have changed the definition of the alpha constant, to
meet the
usual definition in the literature:
E_{xc}^{Xalpha} = (3/2)*alpha*E_x^{LDA}
which means that the Xalpha correlation potential should be
defined as:
E_{c}^{Xalpha} = ( (3/2)*alpha - 1)*E_x^{LDA}
I have set the default to alpha = 1. In any case, the logical
thing would
be to define this functional as a exchange functional, rather
than as a
correlation part to be added to the exchange. But it is not
worthed to
loose too much time with this functional anyway...
2005-02-15 13:51 acastro
* [r1008] xc_f.c: I have put the embryo of what could be the
octopus developer's guide.
It just contains the description of one module, which is lib_xc,
the
interface to Miguel's C library that contains the LDA, GGA and
mGGA
functionals. And in fact it is not even complete.
In the way, I have decided to simplify a little bit the interface
to the library, so that it is a little bit more user friendly.
2005-02-02 03:07 appel
* [r997] ., .cvsignore: now we are complete.
2004-12-15 15:01 marques
* [r965] mgga_c_tpss.c, mgga_x_tpss.c: A couple of bugs solved, but
I still get non-sense. This functiona is too
sensitive to numerical erors in the calculation of derivatives, I
think...
2004-12-07 20:40 marques
* [r958] mgga.c, mgga_c_tpss.c, xc_f.c: MGGA "runs" but gives
non-sense!
2004-12-07 15:46 marques
* [r957] gga_pbe.c, mgga.c, mgga_c_tpss.c, test.c, util.h: Bug
fixed in correlation PBE (yes, there was a serious bug there)
TPSS correlation is apparently working for spin-unpolarized
systems. I still
did not check the spin-polarized functionals (neither x nor c).
2004-12-01 00:05 marques
* [r947] gga_lb.c, gga_pbe.c, lda_c_amgb.c, lda_c_pw.c, lda_c_pz.c,
lda_c_vwn.c, lda_funcs.c, lda_x.c, mgga.c, mgga_c_tpss.c,
mgga_x_tpss.c, test.c, util.h, xc.h, xc_f.c: code now compiles
and runs with -ansi flag. Hope this solves your problems,
Alberto.
2004-11-23 15:53 marques
* [r939] Makefile.am, mgga.c, mgga_c_tpss.c, mgga_x_tpss.c, test.c,
util.h, xc.h: I am implementing the TPSS meta-GGA. The exchange
part is probably working,
the correlation is still a first draft.
2004-10-28 20:34 marques
* [r916] gga_pbe.c, lda_x.c, util.h, xc_f.c: several bug fixes.
2004-10-27 18:34 marques
* [r913] Makefile.am, gga.c, gga_lb.c, util.h, xc.h, xc_f.c: added
lb94 functional. As we all know this functional ahs problems, and
I am really not sure if these problems are handled correctly.
2004-10-27 15:03 marques
* [r911] Makefile.am, gga.c, gga_pbe.c, lda.c, lda_c_amgb.c,
lda_c_pw.c, lda_c_pz.c, lda_c_vwn.c, lda_funcs.c, lda_x.c,
util.h, xc.h, xc_f.c: There is now a mechanism to provide
informations about the functionals being used.
2004-10-26 20:12 marques
* [r908] Makefile.am, gga.c, gga_pbe.c, lda.c, util.c, util.h,
xc.h, xc_f.c: First support for GGAs.
Added PBE.
2004-10-21 15:01 marques
* [r905] util.c: removed an erraneous #include
2004-10-20 16:41 marques
* [r901] xc_f.c: *) Changed (again) the restart files because:
1) There was a bug reading the occupations and the eigenvalues
2) It did not work for spin-polarized calculations
*) Added support for the libxc LDA functionals. Due to this
reason, GGAs
and the other functionals are desactivated. Now octopus can use
the
13 LDAs provided by libxc.
2004-10-20 13:39 marques
* [r899] ., Makefile.am, lda.c, lda_c_amgb.c, lda_c_pw.c,
lda_c_pz.c, lda_c_vwn.c, lda_funcs.c, lda_x.c, test.c, util.c,
util.h, xc.h, xc_f.c: The begining of our library of xc
functionals. There are 13 LDA functionals implemented until now.
The unpolarized versions work I think. The polarized I have some
doubts, and we should do some further checking.
2014-04-01 10:13 micael
* [r1] Initial directory structure
libxc-2.1.2/build/ 0000775 0001750 0001750 00000000000 12471364015 010722 5 0000000 0000000 libxc-2.1.2/build/libxc.pc.in 0000664 0001750 0001750 00000000401 12471363260 012670 0000000 0000000 prefix=@prefix@
exec_prefix=@exec_prefix@
libdir=@libdir@
includedir=@includedir@
Name: libxc
Description: Library of exchange and correlation functionals to be used in DFT codes
Requires:
Version: @VERSION@
Libs: -L${libdir} -lxc
Cflags: -I${includedir}
libxc-2.1.2/build/Makefile.in 0000664 0001750 0001750 00000035175 12471363576 012735 0000000 0000000 # Makefile.in generated by automake 1.13.4 from Makefile.am.
# @configure_input@
# Copyright (C) 1994-2013 Free Software Foundation, Inc.
# This Makefile.in is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
# PARTICULAR PURPOSE.
@SET_MAKE@
VPATH = @srcdir@
am__is_gnu_make = test -n '$(MAKEFILE_LIST)' && test -n '$(MAKELEVEL)'
am__make_running_with_option = \
case $${target_option-} in \
?) ;; \
*) echo "am__make_running_with_option: internal error: invalid" \
"target option '$${target_option-}' specified" >&2; \
exit 1;; \
esac; \
has_opt=no; \
sane_makeflags=$$MAKEFLAGS; \
if $(am__is_gnu_make); then \
sane_makeflags=$$MFLAGS; \
else \
case $$MAKEFLAGS in \
*\\[\ \ ]*) \
bs=\\; \
sane_makeflags=`printf '%s\n' "$$MAKEFLAGS" \
| sed "s/$$bs$$bs[$$bs $$bs ]*//g"`;; \
esac; \
fi; \
skip_next=no; \
strip_trailopt () \
{ \
flg=`printf '%s\n' "$$flg" | sed "s/$$1.*$$//"`; \
}; \
for flg in $$sane_makeflags; do \
test $$skip_next = yes && { skip_next=no; continue; }; \
case $$flg in \
*=*|--*) continue;; \
-*I) strip_trailopt 'I'; skip_next=yes;; \
-*I?*) strip_trailopt 'I';; \
-*O) strip_trailopt 'O'; skip_next=yes;; \
-*O?*) strip_trailopt 'O';; \
-*l) strip_trailopt 'l'; skip_next=yes;; \
-*l?*) strip_trailopt 'l';; \
-[dEDm]) skip_next=yes;; \
-[JT]) skip_next=yes;; \
esac; \
case $$flg in \
*$$target_option*) has_opt=yes; break;; \
esac; \
done; \
test $$has_opt = yes
am__make_dryrun = (target_option=n; $(am__make_running_with_option))
am__make_keepgoing = (target_option=k; $(am__make_running_with_option))
pkgdatadir = $(datadir)/@PACKAGE@
pkgincludedir = $(includedir)/@PACKAGE@
pkglibdir = $(libdir)/@PACKAGE@
pkglibexecdir = $(libexecdir)/@PACKAGE@
am__cd = CDPATH="$${ZSH_VERSION+.}$(PATH_SEPARATOR)" && cd
install_sh_DATA = $(install_sh) -c -m 644
install_sh_PROGRAM = $(install_sh) -c
install_sh_SCRIPT = $(install_sh) -c
INSTALL_HEADER = $(INSTALL_DATA)
transform = $(program_transform_name)
NORMAL_INSTALL = :
PRE_INSTALL = :
POST_INSTALL = :
NORMAL_UNINSTALL = :
PRE_UNINSTALL = :
POST_UNINSTALL = :
build_triplet = @build@
host_triplet = @host@
subdir = build
DIST_COMMON = $(srcdir)/Makefile.in $(srcdir)/Makefile.am \
$(srcdir)/libxc.pc.in $(srcdir)/libxc.spec.in
ACLOCAL_M4 = $(top_srcdir)/aclocal.m4
am__aclocal_m4_deps = $(top_srcdir)/m4/ac_prog_sed.m4 \
$(top_srcdir)/m4/ax_f90_module_extension.m4 \
$(top_srcdir)/m4/fc_integer.m4 $(top_srcdir)/m4/fcflags.m4 \
$(top_srcdir)/m4/fortran.m4 $(top_srcdir)/m4/libtool.m4 \
$(top_srcdir)/m4/ltoptions.m4 $(top_srcdir)/m4/ltsugar.m4 \
$(top_srcdir)/m4/ltversion.m4 $(top_srcdir)/m4/lt~obsolete.m4 \
$(top_srcdir)/configure.ac
am__configure_deps = $(am__aclocal_m4_deps) $(CONFIGURE_DEPENDENCIES) \
$(ACLOCAL_M4)
mkinstalldirs = $(install_sh) -d
CONFIG_HEADER = $(top_builddir)/config.h
CONFIG_CLEAN_FILES = libxc.pc libxc.spec
CONFIG_CLEAN_VPATH_FILES =
AM_V_P = $(am__v_P_@AM_V@)
am__v_P_ = $(am__v_P_@AM_DEFAULT_V@)
am__v_P_0 = false
am__v_P_1 = :
AM_V_GEN = $(am__v_GEN_@AM_V@)
am__v_GEN_ = $(am__v_GEN_@AM_DEFAULT_V@)
am__v_GEN_0 = @echo " GEN " $@;
am__v_GEN_1 =
AM_V_at = $(am__v_at_@AM_V@)
am__v_at_ = $(am__v_at_@AM_DEFAULT_V@)
am__v_at_0 = @
am__v_at_1 =
SOURCES =
DIST_SOURCES =
am__can_run_installinfo = \
case $$AM_UPDATE_INFO_DIR in \
n|no|NO) false;; \
*) (install-info --version) >/dev/null 2>&1;; \
esac
am__vpath_adj_setup = srcdirstrip=`echo "$(srcdir)" | sed 's|.|.|g'`;
am__vpath_adj = case $$p in \
$(srcdir)/*) f=`echo "$$p" | sed "s|^$$srcdirstrip/||"`;; \
*) f=$$p;; \
esac;
am__strip_dir = f=`echo $$p | sed -e 's|^.*/||'`;
am__install_max = 40
am__nobase_strip_setup = \
srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*|]/\\\\&/g'`
am__nobase_strip = \
for p in $$list; do echo "$$p"; done | sed -e "s|$$srcdirstrip/||"
am__nobase_list = $(am__nobase_strip_setup); \
for p in $$list; do echo "$$p $$p"; done | \
sed "s| $$srcdirstrip/| |;"' / .*\//!s/ .*/ ./; s,\( .*\)/[^/]*$$,\1,' | \
$(AWK) 'BEGIN { files["."] = "" } { files[$$2] = files[$$2] " " $$1; \
if (++n[$$2] == $(am__install_max)) \
{ print $$2, files[$$2]; n[$$2] = 0; files[$$2] = "" } } \
END { for (dir in files) print dir, files[dir] }'
am__base_list = \
sed '$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;s/\n/ /g' | \
sed '$$!N;$$!N;$$!N;$$!N;s/\n/ /g'
am__uninstall_files_from_dir = { \
test -z "$$files" \
|| { test ! -d "$$dir" && test ! -f "$$dir" && test ! -r "$$dir"; } \
|| { echo " ( cd '$$dir' && rm -f" $$files ")"; \
$(am__cd) "$$dir" && rm -f $$files; }; \
}
am__installdirs = "$(DESTDIR)$(pkgconfigdir)"
DATA = $(pkgconfig_DATA)
am__tagged_files = $(HEADERS) $(SOURCES) $(TAGS_FILES) $(LISP)
DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST)
ACLOCAL = @ACLOCAL@
ALLOCA = @ALLOCA@
AMTAR = @AMTAR@
AM_DEFAULT_VERBOSITY = @AM_DEFAULT_VERBOSITY@
AR = @AR@
AUTOCONF = @AUTOCONF@
AUTOHEADER = @AUTOHEADER@
AUTOMAKE = @AUTOMAKE@
AWK = @AWK@
CC = @CC@
CCDEPMODE = @CCDEPMODE@
CFLAGS = @CFLAGS@
CPP = @CPP@
CPPFLAGS = @CPPFLAGS@
CYGPATH_W = @CYGPATH_W@
DEFS = @DEFS@
DEPDIR = @DEPDIR@
DLLTOOL = @DLLTOOL@
DSYMUTIL = @DSYMUTIL@
DUMPBIN = @DUMPBIN@
ECHO_C = @ECHO_C@
ECHO_N = @ECHO_N@
ECHO_T = @ECHO_T@
EGREP = @EGREP@
EXEEXT = @EXEEXT@
F90_ACCEPTS_LINE_NUMBERS = @F90_ACCEPTS_LINE_NUMBERS@
FC = @FC@
FCCPP = @FCCPP@
FCFLAGS = @FCFLAGS@
FCFLAGS_f90 = @FCFLAGS_f90@
FCLIBS = @FCLIBS@
FGREP = @FGREP@
GREP = @GREP@
INSTALL = @INSTALL@
INSTALL_DATA = @INSTALL_DATA@
INSTALL_PROGRAM = @INSTALL_PROGRAM@
INSTALL_SCRIPT = @INSTALL_SCRIPT@
INSTALL_STRIP_PROGRAM = @INSTALL_STRIP_PROGRAM@
LD = @LD@
LDFLAGS = @LDFLAGS@
LIBOBJS = @LIBOBJS@
LIBS = @LIBS@
LIBTOOL = @LIBTOOL@
LIPO = @LIPO@
LN_S = @LN_S@
LONG_LINES = @LONG_LINES@
LTLIBOBJS = @LTLIBOBJS@
MAKEINFO = @MAKEINFO@
MANIFEST_TOOL = @MANIFEST_TOOL@
MKDIR_P = @MKDIR_P@
NM = @NM@
NMEDIT = @NMEDIT@
OBJDUMP = @OBJDUMP@
OBJEXT = @OBJEXT@
OTOOL = @OTOOL@
OTOOL64 = @OTOOL64@
PACKAGE = @PACKAGE@
PACKAGE_BUGREPORT = @PACKAGE_BUGREPORT@
PACKAGE_NAME = @PACKAGE_NAME@
PACKAGE_STRING = @PACKAGE_STRING@
PACKAGE_TARNAME = @PACKAGE_TARNAME@
PACKAGE_URL = @PACKAGE_URL@
PACKAGE_VERSION = @PACKAGE_VERSION@
PATH_SEPARATOR = @PATH_SEPARATOR@
RANLIB = @RANLIB@
SED = @SED@
SET_MAKE = @SET_MAKE@
SHELL = @SHELL@
STRIP = @STRIP@
VERSION = @VERSION@
XC_LT_VERSION = @XC_LT_VERSION@
XC_MAJOR_VERSION = @XC_MAJOR_VERSION@
XC_MINOR_VERSION = @XC_MINOR_VERSION@
abs_builddir = @abs_builddir@
abs_srcdir = @abs_srcdir@
abs_top_builddir = @abs_top_builddir@
abs_top_srcdir = @abs_top_srcdir@
ac_ct_AR = @ac_ct_AR@
ac_ct_CC = @ac_ct_CC@
ac_ct_DUMPBIN = @ac_ct_DUMPBIN@
ac_ct_FC = @ac_ct_FC@
am__include = @am__include@
am__leading_dot = @am__leading_dot@
am__quote = @am__quote@
am__tar = @am__tar@
am__untar = @am__untar@
ax_cv_f90_modext = @ax_cv_f90_modext@
bindir = @bindir@
build = @build@
build_alias = @build_alias@
build_cpu = @build_cpu@
build_os = @build_os@
build_vendor = @build_vendor@
builddir = @builddir@
datadir = @datadir@
datarootdir = @datarootdir@
docdir = @docdir@
dvidir = @dvidir@
exec_prefix = @exec_prefix@
host = @host@
host_alias = @host_alias@
host_cpu = @host_cpu@
host_os = @host_os@
host_vendor = @host_vendor@
htmldir = @htmldir@
includedir = @includedir@
infodir = @infodir@
install_sh = @install_sh@
libdir = @libdir@
libexecdir = @libexecdir@
localedir = @localedir@
localstatedir = @localstatedir@
mandir = @mandir@
mkdir_p = @mkdir_p@
oldincludedir = @oldincludedir@
pdfdir = @pdfdir@
prefix = @prefix@
program_transform_name = @program_transform_name@
psdir = @psdir@
sbindir = @sbindir@
sharedstatedir = @sharedstatedir@
srcdir = @srcdir@
sysconfdir = @sysconfdir@
target_alias = @target_alias@
top_build_prefix = @top_build_prefix@
top_builddir = @top_builddir@
top_srcdir = @top_srcdir@
EXTRA_DIST = \
libxc.spec.in libxc.pc.in
DISTCLEANFILES = \
libxc.spec libxc.pc
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = libxc.pc
all: all-am
.SUFFIXES:
$(srcdir)/Makefile.in: $(srcdir)/Makefile.am $(am__configure_deps)
@for dep in $?; do \
case '$(am__configure_deps)' in \
*$$dep*) \
( cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh ) \
&& { if test -f $@; then exit 0; else break; fi; }; \
exit 1;; \
esac; \
done; \
echo ' cd $(top_srcdir) && $(AUTOMAKE) --gnu build/Makefile'; \
$(am__cd) $(top_srcdir) && \
$(AUTOMAKE) --gnu build/Makefile
.PRECIOUS: Makefile
Makefile: $(srcdir)/Makefile.in $(top_builddir)/config.status
@case '$?' in \
*config.status*) \
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh;; \
*) \
echo ' cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__depfiles_maybe)'; \
cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__depfiles_maybe);; \
esac;
$(top_builddir)/config.status: $(top_srcdir)/configure $(CONFIG_STATUS_DEPENDENCIES)
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh
$(top_srcdir)/configure: $(am__configure_deps)
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh
$(ACLOCAL_M4): $(am__aclocal_m4_deps)
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh
$(am__aclocal_m4_deps):
libxc.pc: $(top_builddir)/config.status $(srcdir)/libxc.pc.in
cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@
libxc.spec: $(top_builddir)/config.status $(srcdir)/libxc.spec.in
cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@
mostlyclean-libtool:
-rm -f *.lo
clean-libtool:
-rm -rf .libs _libs
install-pkgconfigDATA: $(pkgconfig_DATA)
@$(NORMAL_INSTALL)
@list='$(pkgconfig_DATA)'; test -n "$(pkgconfigdir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(pkgconfigdir)'"; \
$(MKDIR_P) "$(DESTDIR)$(pkgconfigdir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_DATA) $$files '$(DESTDIR)$(pkgconfigdir)'"; \
$(INSTALL_DATA) $$files "$(DESTDIR)$(pkgconfigdir)" || exit $$?; \
done
uninstall-pkgconfigDATA:
@$(NORMAL_UNINSTALL)
@list='$(pkgconfig_DATA)'; test -n "$(pkgconfigdir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(pkgconfigdir)'; $(am__uninstall_files_from_dir)
tags TAGS:
ctags CTAGS:
cscope cscopelist:
distdir: $(DISTFILES)
@srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \
topsrcdirstrip=`echo "$(top_srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \
list='$(DISTFILES)'; \
dist_files=`for file in $$list; do echo $$file; done | \
sed -e "s|^$$srcdirstrip/||;t" \
-e "s|^$$topsrcdirstrip/|$(top_builddir)/|;t"`; \
case $$dist_files in \
*/*) $(MKDIR_P) `echo "$$dist_files" | \
sed '/\//!d;s|^|$(distdir)/|;s,/[^/]*$$,,' | \
sort -u` ;; \
esac; \
for file in $$dist_files; do \
if test -f $$file || test -d $$file; then d=.; else d=$(srcdir); fi; \
if test -d $$d/$$file; then \
dir=`echo "/$$file" | sed -e 's,/[^/]*$$,,'`; \
if test -d "$(distdir)/$$file"; then \
find "$(distdir)/$$file" -type d ! -perm -700 -exec chmod u+rwx {} \;; \
fi; \
if test -d $(srcdir)/$$file && test $$d != $(srcdir); then \
cp -fpR $(srcdir)/$$file "$(distdir)$$dir" || exit 1; \
find "$(distdir)/$$file" -type d ! -perm -700 -exec chmod u+rwx {} \;; \
fi; \
cp -fpR $$d/$$file "$(distdir)$$dir" || exit 1; \
else \
test -f "$(distdir)/$$file" \
|| cp -p $$d/$$file "$(distdir)/$$file" \
|| exit 1; \
fi; \
done
check-am: all-am
check: check-am
all-am: Makefile $(DATA)
installdirs:
for dir in "$(DESTDIR)$(pkgconfigdir)"; do \
test -z "$$dir" || $(MKDIR_P) "$$dir"; \
done
install: install-am
install-exec: install-exec-am
install-data: install-data-am
uninstall: uninstall-am
install-am: all-am
@$(MAKE) $(AM_MAKEFLAGS) install-exec-am install-data-am
installcheck: installcheck-am
install-strip:
if test -z '$(STRIP)'; then \
$(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \
install; \
else \
$(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \
"INSTALL_PROGRAM_ENV=STRIPPROG='$(STRIP)'" install; \
fi
mostlyclean-generic:
clean-generic:
distclean-generic:
-test -z "$(CONFIG_CLEAN_FILES)" || rm -f $(CONFIG_CLEAN_FILES)
-test . = "$(srcdir)" || test -z "$(CONFIG_CLEAN_VPATH_FILES)" || rm -f $(CONFIG_CLEAN_VPATH_FILES)
-test -z "$(DISTCLEANFILES)" || rm -f $(DISTCLEANFILES)
maintainer-clean-generic:
@echo "This command is intended for maintainers to use"
@echo "it deletes files that may require special tools to rebuild."
clean: clean-am
clean-am: clean-generic clean-libtool mostlyclean-am
distclean: distclean-am
-rm -f Makefile
distclean-am: clean-am distclean-generic
dvi: dvi-am
dvi-am:
html: html-am
html-am:
info: info-am
info-am:
install-data-am: install-pkgconfigDATA
install-dvi: install-dvi-am
install-dvi-am:
install-exec-am:
install-html: install-html-am
install-html-am:
install-info: install-info-am
install-info-am:
install-man:
install-pdf: install-pdf-am
install-pdf-am:
install-ps: install-ps-am
install-ps-am:
installcheck-am:
maintainer-clean: maintainer-clean-am
-rm -f Makefile
maintainer-clean-am: distclean-am maintainer-clean-generic
mostlyclean: mostlyclean-am
mostlyclean-am: mostlyclean-generic mostlyclean-libtool
pdf: pdf-am
pdf-am:
ps: ps-am
ps-am:
uninstall-am: uninstall-pkgconfigDATA
.MAKE: install-am install-strip
.PHONY: all all-am check check-am clean clean-generic clean-libtool \
cscopelist-am ctags-am distclean distclean-generic \
distclean-libtool distdir dvi dvi-am html html-am info info-am \
install install-am install-data install-data-am install-dvi \
install-dvi-am install-exec install-exec-am install-html \
install-html-am install-info install-info-am install-man \
install-pdf install-pdf-am install-pkgconfigDATA install-ps \
install-ps-am install-strip installcheck installcheck-am \
installdirs maintainer-clean maintainer-clean-generic \
mostlyclean mostlyclean-generic mostlyclean-libtool pdf pdf-am \
ps ps-am tags-am uninstall uninstall-am \
uninstall-pkgconfigDATA
# Tell versions [3.59,3.63) of GNU make to not export all variables.
# Otherwise a system limit (for SysV at least) may be exceeded.
.NOEXPORT:
libxc-2.1.2/build/libxc.spec.in 0000664 0001750 0001750 00000003766 12471363260 013241 0000000 0000000 # RPM spec file for @PACKAGE@.
# This file is used to build Redhat Package Manager packages for the
# @PACKAGE@. Such packages make it easy to install and uninstall
# the library and related files from binaries or source.
#
# This spec file is for version @VERSION@ of @PACKAGE@; the appropriate
# version numbers are automatically substituted in to @PACKAGE@.spec.in
# by the configure script. However, @PACKAGE@.spec.in may need to be
# modified for future releases, if the list of installed files
# or build commands change.
#
# RPM. To build, use the command: rpm --clean -ba @PACKAGE@.spec
#
# Alternatively, you can just use 'make rpm'.
#
Name: @PACKAGE@
Summary: Library of exchange and correlation functionals to be used in DFT codes
Version: @VERSION@
Release: 1
Provides: %{name}
License: LGPL 2.0
Group: Applications/Scientific
Prefix: /usr
BuildRoot: %{_tmppath}/%{name}-%{version}-buildroot
Source: http://www.tddft.org/programs/octopus/download/%{name}-%{version}.tar.gz
URL: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
%description
Libxc is a library of exchange and correlation functionals. Its
purpose is to be used in codes that implement density-functional
theory. For the moment, the library includes most of the local density
approximations (LDAs), generalized density approximation (GGAs), and
meta-GGAs. The library provides values for the energy density and its
1st, 2nd, and (for the LDAs) 3rd derivatives.
%prep
rm -rf $RPM_BUILD_ROOT
%setup -q
# The installation is also performed in the %%build stage because the
# code has to be configured twice, with and without MPI support, and
# cleaned in between.
%build
%configure \
CC="@CC@" \
CPP="@CPP@" \
FC="@FC@" \
FCFLAGS="@FCFLAGS@" \
CFLAGS="@CFLAGS@" \
CPPFLAGS="@CPPFLAGS@" \
LDFLAGS="@LDFLAGS@" \
--disable-static
make
make install DESTDIR=${RPM_BUILD_ROOT}
%clean
rm -rf ${RPM_BUILD_ROOT}
%post
%preun
%files
%defattr(-,root,root,0755)
%doc README NEWS COPYING AUTHORS ChangeLog
%{_libdir}/*
%{_includedir}/*
libxc-2.1.2/build/Makefile.am 0000664 0001750 0001750 00000002042 12471363260 012675 0000000 0000000 ## Process this file with automake to produce Makefile.in
## Copyright (C) 2002 M. Marques, A. Castro, A. Rubio, G. Bertsch
##
## This program is free software; you can redistribute it and/or modify
## it under the terms of the GNU General Public License as published by
## the Free Software Foundation; either version 2, or (at your option)
## any later version.
##
## This program is distributed in the hope that it will be useful,
## but WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
## GNU General Public License for more details.
##
## You should have received a copy of the GNU General Public License
## along with this program; if not, write to the Free Software
## Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
## 02110-1301, USA.
##
## $Id: Makefile.am 5782 2009-08-05 15:04:55Z olivares $
EXTRA_DIST = \
libxc.spec.in libxc.pc.in
DISTCLEANFILES = \
libxc.spec libxc.pc
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = libxc.pc
libxc-2.1.2/config.h.in 0000664 0001750 0001750 00000007353 12471363601 011576 0000000 0000000 /* config.h.in. Generated from configure.ac by autoheader. */
/* The C type of a Fortran integer */
#undef CC_FORTRAN_INT
/* Define to one of `_getb67', `GETB67', `getb67' for Cray-2 and Cray-YMP
systems. This function is required for `alloca.c' support on those systems.
*/
#undef CRAY_STACKSEG_END
/* Define to 1 if using `alloca.c'. */
#undef C_ALLOCA
/* compiler supports line-number lines */
#undef F90_ACCEPTS_LINE_NUMBERS
/* Define to dummy `main' function (if any) required to link to the Fortran
libraries. */
#undef FC_DUMMY_MAIN
/* Define if F77 and FC dummy `main' functions are identical. */
#undef FC_DUMMY_MAIN_EQ_F77
/* Define to a macro mangling the given C identifier (in lower and upper
case), which must not contain underscores, for linking with Fortran. */
#undef FC_FUNC
/* As FC_FUNC, but for C identifiers containing underscores. */
#undef FC_FUNC_
/* The size of a Fortran integer */
#undef FC_INTEGER_SIZE
/* Define to 1 if you have `alloca', as a function or macro. */
#undef HAVE_ALLOCA
/* Define to 1 if you have and it should be used (not on Ultrix).
*/
#undef HAVE_ALLOCA_H
/* libm includes cbrt */
#undef HAVE_CBRT
/* libm includes cbrtf */
#undef HAVE_CBRTF
/* Define to 1 if you have the header file. */
#undef HAVE_DLFCN_H
/* libm includes feenableexcept */
#undef HAVE_FEENABLEEXCEPT
/* Defined if libxc is compiled with fortran support */
#undef HAVE_FORTRAN
/* Define to 1 if you have the header file. */
#undef HAVE_INTTYPES_H
/* Define to 1 if you have the header file. */
#undef HAVE_MEMORY_H
/* libm includes sqrtf */
#undef HAVE_SQRTF
/* Define to 1 if you have the header file. */
#undef HAVE_STDINT_H
/* Define to 1 if you have the header file. */
#undef HAVE_STDLIB_H
/* Define to 1 if you have the header file. */
#undef HAVE_STRINGS_H
/* Define to 1 if you have the header file. */
#undef HAVE_STRING_H
/* Define to 1 if you have the header file. */
#undef HAVE_SYS_STAT_H
/* Define to 1 if you have the header file. */
#undef HAVE_SYS_TYPES_H
/* Define to 1 if you have the header file. */
#undef HAVE_UNISTD_H
/* compiler supports long lines */
#undef LONG_LINES
/* Define to the sub-directory in which libtool stores uninstalled libraries.
*/
#undef LT_OBJDIR
/* Define to 1 if your C compiler doesn't accept -c and -o together. */
#undef NO_MINUS_C_MINUS_O
/* Name of package */
#undef PACKAGE
/* Define to the address where bug reports for this package should be sent. */
#undef PACKAGE_BUGREPORT
/* Define to the full name of this package. */
#undef PACKAGE_NAME
/* Define to the full name and version of this package. */
#undef PACKAGE_STRING
/* Define to the one symbol short name of this package. */
#undef PACKAGE_TARNAME
/* Define to the home page for this package. */
#undef PACKAGE_URL
/* Define to the version of this package. */
#undef PACKAGE_VERSION
/* The size of `void*', as computed by sizeof. */
#undef SIZEOF_VOIDP
/* If using the C implementation of alloca, define if you know the
direction of stack growth for your system; otherwise it will be
automatically deduced at runtime.
STACK_DIRECTION > 0 => grows toward higher addresses
STACK_DIRECTION < 0 => grows toward lower addresses
STACK_DIRECTION = 0 => direction of growth unknown */
#undef STACK_DIRECTION
/* Define to 1 if you have the ANSI C header files. */
#undef STDC_HEADERS
/* Version number of package */
#undef VERSION
/* Define to `__inline__' or `__inline' if that's what the C compiler
calls it, or to nothing if 'inline' is not supported under any name. */
#ifndef __cplusplus
#undef inline
#endif
/* Define to `unsigned int' if does not define. */
#undef size_t
libxc-2.1.2/m4/ 0000775 0001750 0001750 00000000000 12471364015 010143 5 0000000 0000000 libxc-2.1.2/m4/libtool.m4 0000644 0001750 0001750 00001057564 12471363256 012017 0000000 0000000 # libtool.m4 - Configure libtool for the host system. -*-Autoconf-*-
#
# Copyright (C) 1996, 1997, 1998, 1999, 2000, 2001, 2003, 2004, 2005,
# 2006, 2007, 2008, 2009, 2010, 2011 Free Software
# Foundation, Inc.
# Written by Gordon Matzigkeit, 1996
#
# This file is free software; the Free Software Foundation gives
# unlimited permission to copy and/or distribute it, with or without
# modifications, as long as this notice is preserved.
m4_define([_LT_COPYING], [dnl
# Copyright (C) 1996, 1997, 1998, 1999, 2000, 2001, 2003, 2004, 2005,
# 2006, 2007, 2008, 2009, 2010, 2011 Free Software
# Foundation, Inc.
# Written by Gordon Matzigkeit, 1996
#
# This file is part of GNU Libtool.
#
# GNU Libtool is free software; you can redistribute it and/or
# modify it under the terms of the GNU General Public License as
# published by the Free Software Foundation; either version 2 of
# the License, or (at your option) any later version.
#
# As a special exception to the GNU General Public License,
# if you distribute this file as part of a program or library that
# is built using GNU Libtool, you may include this file under the
# same distribution terms that you use for the rest of that program.
#
# GNU Libtool is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with GNU Libtool; see the file COPYING. If not, a copy
# can be downloaded from http://www.gnu.org/licenses/gpl.html, or
# obtained by writing to the Free Software Foundation, Inc.,
# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
])
# serial 57 LT_INIT
# LT_PREREQ(VERSION)
# ------------------
# Complain and exit if this libtool version is less that VERSION.
m4_defun([LT_PREREQ],
[m4_if(m4_version_compare(m4_defn([LT_PACKAGE_VERSION]), [$1]), -1,
[m4_default([$3],
[m4_fatal([Libtool version $1 or higher is required],
63)])],
[$2])])
# _LT_CHECK_BUILDDIR
# ------------------
# Complain if the absolute build directory name contains unusual characters
m4_defun([_LT_CHECK_BUILDDIR],
[case `pwd` in
*\ * | *\ *)
AC_MSG_WARN([Libtool does not cope well with whitespace in `pwd`]) ;;
esac
])
# LT_INIT([OPTIONS])
# ------------------
AC_DEFUN([LT_INIT],
[AC_PREREQ([2.58])dnl We use AC_INCLUDES_DEFAULT
AC_REQUIRE([AC_CONFIG_AUX_DIR_DEFAULT])dnl
AC_BEFORE([$0], [LT_LANG])dnl
AC_BEFORE([$0], [LT_OUTPUT])dnl
AC_BEFORE([$0], [LTDL_INIT])dnl
m4_require([_LT_CHECK_BUILDDIR])dnl
dnl Autoconf doesn't catch unexpanded LT_ macros by default:
m4_pattern_forbid([^_?LT_[A-Z_]+$])dnl
m4_pattern_allow([^(_LT_EOF|LT_DLGLOBAL|LT_DLLAZY_OR_NOW|LT_MULTI_MODULE)$])dnl
dnl aclocal doesn't pull ltoptions.m4, ltsugar.m4, or ltversion.m4
dnl unless we require an AC_DEFUNed macro:
AC_REQUIRE([LTOPTIONS_VERSION])dnl
AC_REQUIRE([LTSUGAR_VERSION])dnl
AC_REQUIRE([LTVERSION_VERSION])dnl
AC_REQUIRE([LTOBSOLETE_VERSION])dnl
m4_require([_LT_PROG_LTMAIN])dnl
_LT_SHELL_INIT([SHELL=${CONFIG_SHELL-/bin/sh}])
dnl Parse OPTIONS
_LT_SET_OPTIONS([$0], [$1])
# This can be used to rebuild libtool when needed
LIBTOOL_DEPS="$ltmain"
# Always use our own libtool.
LIBTOOL='$(SHELL) $(top_builddir)/libtool'
AC_SUBST(LIBTOOL)dnl
_LT_SETUP
# Only expand once:
m4_define([LT_INIT])
])# LT_INIT
# Old names:
AU_ALIAS([AC_PROG_LIBTOOL], [LT_INIT])
AU_ALIAS([AM_PROG_LIBTOOL], [LT_INIT])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_PROG_LIBTOOL], [])
dnl AC_DEFUN([AM_PROG_LIBTOOL], [])
# _LT_CC_BASENAME(CC)
# -------------------
# Calculate cc_basename. Skip known compiler wrappers and cross-prefix.
m4_defun([_LT_CC_BASENAME],
[for cc_temp in $1""; do
case $cc_temp in
compile | *[[\\/]]compile | ccache | *[[\\/]]ccache ) ;;
distcc | *[[\\/]]distcc | purify | *[[\\/]]purify ) ;;
\-*) ;;
*) break;;
esac
done
cc_basename=`$ECHO "$cc_temp" | $SED "s%.*/%%; s%^$host_alias-%%"`
])
# _LT_FILEUTILS_DEFAULTS
# ----------------------
# It is okay to use these file commands and assume they have been set
# sensibly after `m4_require([_LT_FILEUTILS_DEFAULTS])'.
m4_defun([_LT_FILEUTILS_DEFAULTS],
[: ${CP="cp -f"}
: ${MV="mv -f"}
: ${RM="rm -f"}
])# _LT_FILEUTILS_DEFAULTS
# _LT_SETUP
# ---------
m4_defun([_LT_SETUP],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
AC_REQUIRE([AC_CANONICAL_BUILD])dnl
AC_REQUIRE([_LT_PREPARE_SED_QUOTE_VARS])dnl
AC_REQUIRE([_LT_PROG_ECHO_BACKSLASH])dnl
_LT_DECL([], [PATH_SEPARATOR], [1], [The PATH separator for the build system])dnl
dnl
_LT_DECL([], [host_alias], [0], [The host system])dnl
_LT_DECL([], [host], [0])dnl
_LT_DECL([], [host_os], [0])dnl
dnl
_LT_DECL([], [build_alias], [0], [The build system])dnl
_LT_DECL([], [build], [0])dnl
_LT_DECL([], [build_os], [0])dnl
dnl
AC_REQUIRE([AC_PROG_CC])dnl
AC_REQUIRE([LT_PATH_LD])dnl
AC_REQUIRE([LT_PATH_NM])dnl
dnl
AC_REQUIRE([AC_PROG_LN_S])dnl
test -z "$LN_S" && LN_S="ln -s"
_LT_DECL([], [LN_S], [1], [Whether we need soft or hard links])dnl
dnl
AC_REQUIRE([LT_CMD_MAX_LEN])dnl
_LT_DECL([objext], [ac_objext], [0], [Object file suffix (normally "o")])dnl
_LT_DECL([], [exeext], [0], [Executable file suffix (normally "")])dnl
dnl
m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_CHECK_SHELL_FEATURES])dnl
m4_require([_LT_PATH_CONVERSION_FUNCTIONS])dnl
m4_require([_LT_CMD_RELOAD])dnl
m4_require([_LT_CHECK_MAGIC_METHOD])dnl
m4_require([_LT_CHECK_SHAREDLIB_FROM_LINKLIB])dnl
m4_require([_LT_CMD_OLD_ARCHIVE])dnl
m4_require([_LT_CMD_GLOBAL_SYMBOLS])dnl
m4_require([_LT_WITH_SYSROOT])dnl
_LT_CONFIG_LIBTOOL_INIT([
# See if we are running on zsh, and set the options which allow our
# commands through without removal of \ escapes INIT.
if test -n "\${ZSH_VERSION+set}" ; then
setopt NO_GLOB_SUBST
fi
])
if test -n "${ZSH_VERSION+set}" ; then
setopt NO_GLOB_SUBST
fi
_LT_CHECK_OBJDIR
m4_require([_LT_TAG_COMPILER])dnl
case $host_os in
aix3*)
# AIX sometimes has problems with the GCC collect2 program. For some
# reason, if we set the COLLECT_NAMES environment variable, the problems
# vanish in a puff of smoke.
if test "X${COLLECT_NAMES+set}" != Xset; then
COLLECT_NAMES=
export COLLECT_NAMES
fi
;;
esac
# Global variables:
ofile=libtool
can_build_shared=yes
# All known linkers require a `.a' archive for static linking (except MSVC,
# which needs '.lib').
libext=a
with_gnu_ld="$lt_cv_prog_gnu_ld"
old_CC="$CC"
old_CFLAGS="$CFLAGS"
# Set sane defaults for various variables
test -z "$CC" && CC=cc
test -z "$LTCC" && LTCC=$CC
test -z "$LTCFLAGS" && LTCFLAGS=$CFLAGS
test -z "$LD" && LD=ld
test -z "$ac_objext" && ac_objext=o
_LT_CC_BASENAME([$compiler])
# Only perform the check for file, if the check method requires it
test -z "$MAGIC_CMD" && MAGIC_CMD=file
case $deplibs_check_method in
file_magic*)
if test "$file_magic_cmd" = '$MAGIC_CMD'; then
_LT_PATH_MAGIC
fi
;;
esac
# Use C for the default configuration in the libtool script
LT_SUPPORTED_TAG([CC])
_LT_LANG_C_CONFIG
_LT_LANG_DEFAULT_CONFIG
_LT_CONFIG_COMMANDS
])# _LT_SETUP
# _LT_PREPARE_SED_QUOTE_VARS
# --------------------------
# Define a few sed substitution that help us do robust quoting.
m4_defun([_LT_PREPARE_SED_QUOTE_VARS],
[# Backslashify metacharacters that are still active within
# double-quoted strings.
sed_quote_subst='s/\([["`$\\]]\)/\\\1/g'
# Same as above, but do not quote variable references.
double_quote_subst='s/\([["`\\]]\)/\\\1/g'
# Sed substitution to delay expansion of an escaped shell variable in a
# double_quote_subst'ed string.
delay_variable_subst='s/\\\\\\\\\\\$/\\\\\\$/g'
# Sed substitution to delay expansion of an escaped single quote.
delay_single_quote_subst='s/'\''/'\'\\\\\\\'\''/g'
# Sed substitution to avoid accidental globbing in evaled expressions
no_glob_subst='s/\*/\\\*/g'
])
# _LT_PROG_LTMAIN
# ---------------
# Note that this code is called both from `configure', and `config.status'
# now that we use AC_CONFIG_COMMANDS to generate libtool. Notably,
# `config.status' has no value for ac_aux_dir unless we are using Automake,
# so we pass a copy along to make sure it has a sensible value anyway.
m4_defun([_LT_PROG_LTMAIN],
[m4_ifdef([AC_REQUIRE_AUX_FILE], [AC_REQUIRE_AUX_FILE([ltmain.sh])])dnl
_LT_CONFIG_LIBTOOL_INIT([ac_aux_dir='$ac_aux_dir'])
ltmain="$ac_aux_dir/ltmain.sh"
])# _LT_PROG_LTMAIN
## ------------------------------------- ##
## Accumulate code for creating libtool. ##
## ------------------------------------- ##
# So that we can recreate a full libtool script including additional
# tags, we accumulate the chunks of code to send to AC_CONFIG_COMMANDS
# in macros and then make a single call at the end using the `libtool'
# label.
# _LT_CONFIG_LIBTOOL_INIT([INIT-COMMANDS])
# ----------------------------------------
# Register INIT-COMMANDS to be passed to AC_CONFIG_COMMANDS later.
m4_define([_LT_CONFIG_LIBTOOL_INIT],
[m4_ifval([$1],
[m4_append([_LT_OUTPUT_LIBTOOL_INIT],
[$1
])])])
# Initialize.
m4_define([_LT_OUTPUT_LIBTOOL_INIT])
# _LT_CONFIG_LIBTOOL([COMMANDS])
# ------------------------------
# Register COMMANDS to be passed to AC_CONFIG_COMMANDS later.
m4_define([_LT_CONFIG_LIBTOOL],
[m4_ifval([$1],
[m4_append([_LT_OUTPUT_LIBTOOL_COMMANDS],
[$1
])])])
# Initialize.
m4_define([_LT_OUTPUT_LIBTOOL_COMMANDS])
# _LT_CONFIG_SAVE_COMMANDS([COMMANDS], [INIT_COMMANDS])
# -----------------------------------------------------
m4_defun([_LT_CONFIG_SAVE_COMMANDS],
[_LT_CONFIG_LIBTOOL([$1])
_LT_CONFIG_LIBTOOL_INIT([$2])
])
# _LT_FORMAT_COMMENT([COMMENT])
# -----------------------------
# Add leading comment marks to the start of each line, and a trailing
# full-stop to the whole comment if one is not present already.
m4_define([_LT_FORMAT_COMMENT],
[m4_ifval([$1], [
m4_bpatsubst([m4_bpatsubst([$1], [^ *], [# ])],
[['`$\]], [\\\&])]m4_bmatch([$1], [[!?.]$], [], [.])
)])
## ------------------------ ##
## FIXME: Eliminate VARNAME ##
## ------------------------ ##
# _LT_DECL([CONFIGNAME], VARNAME, VALUE, [DESCRIPTION], [IS-TAGGED?])
# -------------------------------------------------------------------
# CONFIGNAME is the name given to the value in the libtool script.
# VARNAME is the (base) name used in the configure script.
# VALUE may be 0, 1 or 2 for a computed quote escaped value based on
# VARNAME. Any other value will be used directly.
m4_define([_LT_DECL],
[lt_if_append_uniq([lt_decl_varnames], [$2], [, ],
[lt_dict_add_subkey([lt_decl_dict], [$2], [libtool_name],
[m4_ifval([$1], [$1], [$2])])
lt_dict_add_subkey([lt_decl_dict], [$2], [value], [$3])
m4_ifval([$4],
[lt_dict_add_subkey([lt_decl_dict], [$2], [description], [$4])])
lt_dict_add_subkey([lt_decl_dict], [$2],
[tagged?], [m4_ifval([$5], [yes], [no])])])
])
# _LT_TAGDECL([CONFIGNAME], VARNAME, VALUE, [DESCRIPTION])
# --------------------------------------------------------
m4_define([_LT_TAGDECL], [_LT_DECL([$1], [$2], [$3], [$4], [yes])])
# lt_decl_tag_varnames([SEPARATOR], [VARNAME1...])
# ------------------------------------------------
m4_define([lt_decl_tag_varnames],
[_lt_decl_filter([tagged?], [yes], $@)])
# _lt_decl_filter(SUBKEY, VALUE, [SEPARATOR], [VARNAME1..])
# ---------------------------------------------------------
m4_define([_lt_decl_filter],
[m4_case([$#],
[0], [m4_fatal([$0: too few arguments: $#])],
[1], [m4_fatal([$0: too few arguments: $#: $1])],
[2], [lt_dict_filter([lt_decl_dict], [$1], [$2], [], lt_decl_varnames)],
[3], [lt_dict_filter([lt_decl_dict], [$1], [$2], [$3], lt_decl_varnames)],
[lt_dict_filter([lt_decl_dict], $@)])[]dnl
])
# lt_decl_quote_varnames([SEPARATOR], [VARNAME1...])
# --------------------------------------------------
m4_define([lt_decl_quote_varnames],
[_lt_decl_filter([value], [1], $@)])
# lt_decl_dquote_varnames([SEPARATOR], [VARNAME1...])
# ---------------------------------------------------
m4_define([lt_decl_dquote_varnames],
[_lt_decl_filter([value], [2], $@)])
# lt_decl_varnames_tagged([SEPARATOR], [VARNAME1...])
# ---------------------------------------------------
m4_define([lt_decl_varnames_tagged],
[m4_assert([$# <= 2])dnl
_$0(m4_quote(m4_default([$1], [[, ]])),
m4_ifval([$2], [[$2]], [m4_dquote(lt_decl_tag_varnames)]),
m4_split(m4_normalize(m4_quote(_LT_TAGS)), [ ]))])
m4_define([_lt_decl_varnames_tagged],
[m4_ifval([$3], [lt_combine([$1], [$2], [_], $3)])])
# lt_decl_all_varnames([SEPARATOR], [VARNAME1...])
# ------------------------------------------------
m4_define([lt_decl_all_varnames],
[_$0(m4_quote(m4_default([$1], [[, ]])),
m4_if([$2], [],
m4_quote(lt_decl_varnames),
m4_quote(m4_shift($@))))[]dnl
])
m4_define([_lt_decl_all_varnames],
[lt_join($@, lt_decl_varnames_tagged([$1],
lt_decl_tag_varnames([[, ]], m4_shift($@))))dnl
])
# _LT_CONFIG_STATUS_DECLARE([VARNAME])
# ------------------------------------
# Quote a variable value, and forward it to `config.status' so that its
# declaration there will have the same value as in `configure'. VARNAME
# must have a single quote delimited value for this to work.
m4_define([_LT_CONFIG_STATUS_DECLARE],
[$1='`$ECHO "$][$1" | $SED "$delay_single_quote_subst"`'])
# _LT_CONFIG_STATUS_DECLARATIONS
# ------------------------------
# We delimit libtool config variables with single quotes, so when
# we write them to config.status, we have to be sure to quote all
# embedded single quotes properly. In configure, this macro expands
# each variable declared with _LT_DECL (and _LT_TAGDECL) into:
#
# ='`$ECHO "$" | $SED "$delay_single_quote_subst"`'
m4_defun([_LT_CONFIG_STATUS_DECLARATIONS],
[m4_foreach([_lt_var], m4_quote(lt_decl_all_varnames),
[m4_n([_LT_CONFIG_STATUS_DECLARE(_lt_var)])])])
# _LT_LIBTOOL_TAGS
# ----------------
# Output comment and list of tags supported by the script
m4_defun([_LT_LIBTOOL_TAGS],
[_LT_FORMAT_COMMENT([The names of the tagged configurations supported by this script])dnl
available_tags="_LT_TAGS"dnl
])
# _LT_LIBTOOL_DECLARE(VARNAME, [TAG])
# -----------------------------------
# Extract the dictionary values for VARNAME (optionally with TAG) and
# expand to a commented shell variable setting:
#
# # Some comment about what VAR is for.
# visible_name=$lt_internal_name
m4_define([_LT_LIBTOOL_DECLARE],
[_LT_FORMAT_COMMENT(m4_quote(lt_dict_fetch([lt_decl_dict], [$1],
[description])))[]dnl
m4_pushdef([_libtool_name],
m4_quote(lt_dict_fetch([lt_decl_dict], [$1], [libtool_name])))[]dnl
m4_case(m4_quote(lt_dict_fetch([lt_decl_dict], [$1], [value])),
[0], [_libtool_name=[$]$1],
[1], [_libtool_name=$lt_[]$1],
[2], [_libtool_name=$lt_[]$1],
[_libtool_name=lt_dict_fetch([lt_decl_dict], [$1], [value])])[]dnl
m4_ifval([$2], [_$2])[]m4_popdef([_libtool_name])[]dnl
])
# _LT_LIBTOOL_CONFIG_VARS
# -----------------------
# Produce commented declarations of non-tagged libtool config variables
# suitable for insertion in the LIBTOOL CONFIG section of the `libtool'
# script. Tagged libtool config variables (even for the LIBTOOL CONFIG
# section) are produced by _LT_LIBTOOL_TAG_VARS.
m4_defun([_LT_LIBTOOL_CONFIG_VARS],
[m4_foreach([_lt_var],
m4_quote(_lt_decl_filter([tagged?], [no], [], lt_decl_varnames)),
[m4_n([_LT_LIBTOOL_DECLARE(_lt_var)])])])
# _LT_LIBTOOL_TAG_VARS(TAG)
# -------------------------
m4_define([_LT_LIBTOOL_TAG_VARS],
[m4_foreach([_lt_var], m4_quote(lt_decl_tag_varnames),
[m4_n([_LT_LIBTOOL_DECLARE(_lt_var, [$1])])])])
# _LT_TAGVAR(VARNAME, [TAGNAME])
# ------------------------------
m4_define([_LT_TAGVAR], [m4_ifval([$2], [$1_$2], [$1])])
# _LT_CONFIG_COMMANDS
# -------------------
# Send accumulated output to $CONFIG_STATUS. Thanks to the lists of
# variables for single and double quote escaping we saved from calls
# to _LT_DECL, we can put quote escaped variables declarations
# into `config.status', and then the shell code to quote escape them in
# for loops in `config.status'. Finally, any additional code accumulated
# from calls to _LT_CONFIG_LIBTOOL_INIT is expanded.
m4_defun([_LT_CONFIG_COMMANDS],
[AC_PROVIDE_IFELSE([LT_OUTPUT],
dnl If the libtool generation code has been placed in $CONFIG_LT,
dnl instead of duplicating it all over again into config.status,
dnl then we will have config.status run $CONFIG_LT later, so it
dnl needs to know what name is stored there:
[AC_CONFIG_COMMANDS([libtool],
[$SHELL $CONFIG_LT || AS_EXIT(1)], [CONFIG_LT='$CONFIG_LT'])],
dnl If the libtool generation code is destined for config.status,
dnl expand the accumulated commands and init code now:
[AC_CONFIG_COMMANDS([libtool],
[_LT_OUTPUT_LIBTOOL_COMMANDS], [_LT_OUTPUT_LIBTOOL_COMMANDS_INIT])])
])#_LT_CONFIG_COMMANDS
# Initialize.
m4_define([_LT_OUTPUT_LIBTOOL_COMMANDS_INIT],
[
# The HP-UX ksh and POSIX shell print the target directory to stdout
# if CDPATH is set.
(unset CDPATH) >/dev/null 2>&1 && unset CDPATH
sed_quote_subst='$sed_quote_subst'
double_quote_subst='$double_quote_subst'
delay_variable_subst='$delay_variable_subst'
_LT_CONFIG_STATUS_DECLARATIONS
LTCC='$LTCC'
LTCFLAGS='$LTCFLAGS'
compiler='$compiler_DEFAULT'
# A function that is used when there is no print builtin or printf.
func_fallback_echo ()
{
eval 'cat <<_LTECHO_EOF
\$[]1
_LTECHO_EOF'
}
# Quote evaled strings.
for var in lt_decl_all_varnames([[ \
]], lt_decl_quote_varnames); do
case \`eval \\\\\$ECHO \\\\""\\\\\$\$var"\\\\"\` in
*[[\\\\\\\`\\"\\\$]]*)
eval "lt_\$var=\\\\\\"\\\`\\\$ECHO \\"\\\$\$var\\" | \\\$SED \\"\\\$sed_quote_subst\\"\\\`\\\\\\""
;;
*)
eval "lt_\$var=\\\\\\"\\\$\$var\\\\\\""
;;
esac
done
# Double-quote double-evaled strings.
for var in lt_decl_all_varnames([[ \
]], lt_decl_dquote_varnames); do
case \`eval \\\\\$ECHO \\\\""\\\\\$\$var"\\\\"\` in
*[[\\\\\\\`\\"\\\$]]*)
eval "lt_\$var=\\\\\\"\\\`\\\$ECHO \\"\\\$\$var\\" | \\\$SED -e \\"\\\$double_quote_subst\\" -e \\"\\\$sed_quote_subst\\" -e \\"\\\$delay_variable_subst\\"\\\`\\\\\\""
;;
*)
eval "lt_\$var=\\\\\\"\\\$\$var\\\\\\""
;;
esac
done
_LT_OUTPUT_LIBTOOL_INIT
])
# _LT_GENERATED_FILE_INIT(FILE, [COMMENT])
# ------------------------------------
# Generate a child script FILE with all initialization necessary to
# reuse the environment learned by the parent script, and make the
# file executable. If COMMENT is supplied, it is inserted after the
# `#!' sequence but before initialization text begins. After this
# macro, additional text can be appended to FILE to form the body of
# the child script. The macro ends with non-zero status if the
# file could not be fully written (such as if the disk is full).
m4_ifdef([AS_INIT_GENERATED],
[m4_defun([_LT_GENERATED_FILE_INIT],[AS_INIT_GENERATED($@)])],
[m4_defun([_LT_GENERATED_FILE_INIT],
[m4_require([AS_PREPARE])]dnl
[m4_pushdef([AS_MESSAGE_LOG_FD])]dnl
[lt_write_fail=0
cat >$1 <<_ASEOF || lt_write_fail=1
#! $SHELL
# Generated by $as_me.
$2
SHELL=\${CONFIG_SHELL-$SHELL}
export SHELL
_ASEOF
cat >>$1 <<\_ASEOF || lt_write_fail=1
AS_SHELL_SANITIZE
_AS_PREPARE
exec AS_MESSAGE_FD>&1
_ASEOF
test $lt_write_fail = 0 && chmod +x $1[]dnl
m4_popdef([AS_MESSAGE_LOG_FD])])])# _LT_GENERATED_FILE_INIT
# LT_OUTPUT
# ---------
# This macro allows early generation of the libtool script (before
# AC_OUTPUT is called), incase it is used in configure for compilation
# tests.
AC_DEFUN([LT_OUTPUT],
[: ${CONFIG_LT=./config.lt}
AC_MSG_NOTICE([creating $CONFIG_LT])
_LT_GENERATED_FILE_INIT(["$CONFIG_LT"],
[# Run this file to recreate a libtool stub with the current configuration.])
cat >>"$CONFIG_LT" <<\_LTEOF
lt_cl_silent=false
exec AS_MESSAGE_LOG_FD>>config.log
{
echo
AS_BOX([Running $as_me.])
} >&AS_MESSAGE_LOG_FD
lt_cl_help="\
\`$as_me' creates a local libtool stub from the current configuration,
for use in further configure time tests before the real libtool is
generated.
Usage: $[0] [[OPTIONS]]
-h, --help print this help, then exit
-V, --version print version number, then exit
-q, --quiet do not print progress messages
-d, --debug don't remove temporary files
Report bugs to ."
lt_cl_version="\
m4_ifset([AC_PACKAGE_NAME], [AC_PACKAGE_NAME ])config.lt[]dnl
m4_ifset([AC_PACKAGE_VERSION], [ AC_PACKAGE_VERSION])
configured by $[0], generated by m4_PACKAGE_STRING.
Copyright (C) 2011 Free Software Foundation, Inc.
This config.lt script is free software; the Free Software Foundation
gives unlimited permision to copy, distribute and modify it."
while test $[#] != 0
do
case $[1] in
--version | --v* | -V )
echo "$lt_cl_version"; exit 0 ;;
--help | --h* | -h )
echo "$lt_cl_help"; exit 0 ;;
--debug | --d* | -d )
debug=: ;;
--quiet | --q* | --silent | --s* | -q )
lt_cl_silent=: ;;
-*) AC_MSG_ERROR([unrecognized option: $[1]
Try \`$[0] --help' for more information.]) ;;
*) AC_MSG_ERROR([unrecognized argument: $[1]
Try \`$[0] --help' for more information.]) ;;
esac
shift
done
if $lt_cl_silent; then
exec AS_MESSAGE_FD>/dev/null
fi
_LTEOF
cat >>"$CONFIG_LT" <<_LTEOF
_LT_OUTPUT_LIBTOOL_COMMANDS_INIT
_LTEOF
cat >>"$CONFIG_LT" <<\_LTEOF
AC_MSG_NOTICE([creating $ofile])
_LT_OUTPUT_LIBTOOL_COMMANDS
AS_EXIT(0)
_LTEOF
chmod +x "$CONFIG_LT"
# configure is writing to config.log, but config.lt does its own redirection,
# appending to config.log, which fails on DOS, as config.log is still kept
# open by configure. Here we exec the FD to /dev/null, effectively closing
# config.log, so it can be properly (re)opened and appended to by config.lt.
lt_cl_success=:
test "$silent" = yes &&
lt_config_lt_args="$lt_config_lt_args --quiet"
exec AS_MESSAGE_LOG_FD>/dev/null
$SHELL "$CONFIG_LT" $lt_config_lt_args || lt_cl_success=false
exec AS_MESSAGE_LOG_FD>>config.log
$lt_cl_success || AS_EXIT(1)
])# LT_OUTPUT
# _LT_CONFIG(TAG)
# ---------------
# If TAG is the built-in tag, create an initial libtool script with a
# default configuration from the untagged config vars. Otherwise add code
# to config.status for appending the configuration named by TAG from the
# matching tagged config vars.
m4_defun([_LT_CONFIG],
[m4_require([_LT_FILEUTILS_DEFAULTS])dnl
_LT_CONFIG_SAVE_COMMANDS([
m4_define([_LT_TAG], m4_if([$1], [], [C], [$1]))dnl
m4_if(_LT_TAG, [C], [
# See if we are running on zsh, and set the options which allow our
# commands through without removal of \ escapes.
if test -n "${ZSH_VERSION+set}" ; then
setopt NO_GLOB_SUBST
fi
cfgfile="${ofile}T"
trap "$RM \"$cfgfile\"; exit 1" 1 2 15
$RM "$cfgfile"
cat <<_LT_EOF >> "$cfgfile"
#! $SHELL
# `$ECHO "$ofile" | sed 's%^.*/%%'` - Provide generalized library-building support services.
# Generated automatically by $as_me ($PACKAGE$TIMESTAMP) $VERSION
# Libtool was configured on host `(hostname || uname -n) 2>/dev/null | sed 1q`:
# NOTE: Changes made to this file will be lost: look at ltmain.sh.
#
_LT_COPYING
_LT_LIBTOOL_TAGS
# ### BEGIN LIBTOOL CONFIG
_LT_LIBTOOL_CONFIG_VARS
_LT_LIBTOOL_TAG_VARS
# ### END LIBTOOL CONFIG
_LT_EOF
case $host_os in
aix3*)
cat <<\_LT_EOF >> "$cfgfile"
# AIX sometimes has problems with the GCC collect2 program. For some
# reason, if we set the COLLECT_NAMES environment variable, the problems
# vanish in a puff of smoke.
if test "X${COLLECT_NAMES+set}" != Xset; then
COLLECT_NAMES=
export COLLECT_NAMES
fi
_LT_EOF
;;
esac
_LT_PROG_LTMAIN
# We use sed instead of cat because bash on DJGPP gets confused if
# if finds mixed CR/LF and LF-only lines. Since sed operates in
# text mode, it properly converts lines to CR/LF. This bash problem
# is reportedly fixed, but why not run on old versions too?
sed '$q' "$ltmain" >> "$cfgfile" \
|| (rm -f "$cfgfile"; exit 1)
_LT_PROG_REPLACE_SHELLFNS
mv -f "$cfgfile" "$ofile" ||
(rm -f "$ofile" && cp "$cfgfile" "$ofile" && rm -f "$cfgfile")
chmod +x "$ofile"
],
[cat <<_LT_EOF >> "$ofile"
dnl Unfortunately we have to use $1 here, since _LT_TAG is not expanded
dnl in a comment (ie after a #).
# ### BEGIN LIBTOOL TAG CONFIG: $1
_LT_LIBTOOL_TAG_VARS(_LT_TAG)
# ### END LIBTOOL TAG CONFIG: $1
_LT_EOF
])dnl /m4_if
],
[m4_if([$1], [], [
PACKAGE='$PACKAGE'
VERSION='$VERSION'
TIMESTAMP='$TIMESTAMP'
RM='$RM'
ofile='$ofile'], [])
])dnl /_LT_CONFIG_SAVE_COMMANDS
])# _LT_CONFIG
# LT_SUPPORTED_TAG(TAG)
# ---------------------
# Trace this macro to discover what tags are supported by the libtool
# --tag option, using:
# autoconf --trace 'LT_SUPPORTED_TAG:$1'
AC_DEFUN([LT_SUPPORTED_TAG], [])
# C support is built-in for now
m4_define([_LT_LANG_C_enabled], [])
m4_define([_LT_TAGS], [])
# LT_LANG(LANG)
# -------------
# Enable libtool support for the given language if not already enabled.
AC_DEFUN([LT_LANG],
[AC_BEFORE([$0], [LT_OUTPUT])dnl
m4_case([$1],
[C], [_LT_LANG(C)],
[C++], [_LT_LANG(CXX)],
[Go], [_LT_LANG(GO)],
[Java], [_LT_LANG(GCJ)],
[Fortran 77], [_LT_LANG(F77)],
[Fortran], [_LT_LANG(FC)],
[Windows Resource], [_LT_LANG(RC)],
[m4_ifdef([_LT_LANG_]$1[_CONFIG],
[_LT_LANG($1)],
[m4_fatal([$0: unsupported language: "$1"])])])dnl
])# LT_LANG
# _LT_LANG(LANGNAME)
# ------------------
m4_defun([_LT_LANG],
[m4_ifdef([_LT_LANG_]$1[_enabled], [],
[LT_SUPPORTED_TAG([$1])dnl
m4_append([_LT_TAGS], [$1 ])dnl
m4_define([_LT_LANG_]$1[_enabled], [])dnl
_LT_LANG_$1_CONFIG($1)])dnl
])# _LT_LANG
m4_ifndef([AC_PROG_GO], [
############################################################
# NOTE: This macro has been submitted for inclusion into #
# GNU Autoconf as AC_PROG_GO. When it is available in #
# a released version of Autoconf we should remove this #
# macro and use it instead. #
############################################################
m4_defun([AC_PROG_GO],
[AC_LANG_PUSH(Go)dnl
AC_ARG_VAR([GOC], [Go compiler command])dnl
AC_ARG_VAR([GOFLAGS], [Go compiler flags])dnl
_AC_ARG_VAR_LDFLAGS()dnl
AC_CHECK_TOOL(GOC, gccgo)
if test -z "$GOC"; then
if test -n "$ac_tool_prefix"; then
AC_CHECK_PROG(GOC, [${ac_tool_prefix}gccgo], [${ac_tool_prefix}gccgo])
fi
fi
if test -z "$GOC"; then
AC_CHECK_PROG(GOC, gccgo, gccgo, false)
fi
])#m4_defun
])#m4_ifndef
# _LT_LANG_DEFAULT_CONFIG
# -----------------------
m4_defun([_LT_LANG_DEFAULT_CONFIG],
[AC_PROVIDE_IFELSE([AC_PROG_CXX],
[LT_LANG(CXX)],
[m4_define([AC_PROG_CXX], defn([AC_PROG_CXX])[LT_LANG(CXX)])])
AC_PROVIDE_IFELSE([AC_PROG_F77],
[LT_LANG(F77)],
[m4_define([AC_PROG_F77], defn([AC_PROG_F77])[LT_LANG(F77)])])
AC_PROVIDE_IFELSE([AC_PROG_FC],
[LT_LANG(FC)],
[m4_define([AC_PROG_FC], defn([AC_PROG_FC])[LT_LANG(FC)])])
dnl The call to [A][M_PROG_GCJ] is quoted like that to stop aclocal
dnl pulling things in needlessly.
AC_PROVIDE_IFELSE([AC_PROG_GCJ],
[LT_LANG(GCJ)],
[AC_PROVIDE_IFELSE([A][M_PROG_GCJ],
[LT_LANG(GCJ)],
[AC_PROVIDE_IFELSE([LT_PROG_GCJ],
[LT_LANG(GCJ)],
[m4_ifdef([AC_PROG_GCJ],
[m4_define([AC_PROG_GCJ], defn([AC_PROG_GCJ])[LT_LANG(GCJ)])])
m4_ifdef([A][M_PROG_GCJ],
[m4_define([A][M_PROG_GCJ], defn([A][M_PROG_GCJ])[LT_LANG(GCJ)])])
m4_ifdef([LT_PROG_GCJ],
[m4_define([LT_PROG_GCJ], defn([LT_PROG_GCJ])[LT_LANG(GCJ)])])])])])
AC_PROVIDE_IFELSE([AC_PROG_GO],
[LT_LANG(GO)],
[m4_define([AC_PROG_GO], defn([AC_PROG_GO])[LT_LANG(GO)])])
AC_PROVIDE_IFELSE([LT_PROG_RC],
[LT_LANG(RC)],
[m4_define([LT_PROG_RC], defn([LT_PROG_RC])[LT_LANG(RC)])])
])# _LT_LANG_DEFAULT_CONFIG
# Obsolete macros:
AU_DEFUN([AC_LIBTOOL_CXX], [LT_LANG(C++)])
AU_DEFUN([AC_LIBTOOL_F77], [LT_LANG(Fortran 77)])
AU_DEFUN([AC_LIBTOOL_FC], [LT_LANG(Fortran)])
AU_DEFUN([AC_LIBTOOL_GCJ], [LT_LANG(Java)])
AU_DEFUN([AC_LIBTOOL_RC], [LT_LANG(Windows Resource)])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_CXX], [])
dnl AC_DEFUN([AC_LIBTOOL_F77], [])
dnl AC_DEFUN([AC_LIBTOOL_FC], [])
dnl AC_DEFUN([AC_LIBTOOL_GCJ], [])
dnl AC_DEFUN([AC_LIBTOOL_RC], [])
# _LT_TAG_COMPILER
# ----------------
m4_defun([_LT_TAG_COMPILER],
[AC_REQUIRE([AC_PROG_CC])dnl
_LT_DECL([LTCC], [CC], [1], [A C compiler])dnl
_LT_DECL([LTCFLAGS], [CFLAGS], [1], [LTCC compiler flags])dnl
_LT_TAGDECL([CC], [compiler], [1], [A language specific compiler])dnl
_LT_TAGDECL([with_gcc], [GCC], [0], [Is the compiler the GNU compiler?])dnl
# If no C compiler was specified, use CC.
LTCC=${LTCC-"$CC"}
# If no C compiler flags were specified, use CFLAGS.
LTCFLAGS=${LTCFLAGS-"$CFLAGS"}
# Allow CC to be a program name with arguments.
compiler=$CC
])# _LT_TAG_COMPILER
# _LT_COMPILER_BOILERPLATE
# ------------------------
# Check for compiler boilerplate output or warnings with
# the simple compiler test code.
m4_defun([_LT_COMPILER_BOILERPLATE],
[m4_require([_LT_DECL_SED])dnl
ac_outfile=conftest.$ac_objext
echo "$lt_simple_compile_test_code" >conftest.$ac_ext
eval "$ac_compile" 2>&1 >/dev/null | $SED '/^$/d; /^ *+/d' >conftest.err
_lt_compiler_boilerplate=`cat conftest.err`
$RM conftest*
])# _LT_COMPILER_BOILERPLATE
# _LT_LINKER_BOILERPLATE
# ----------------------
# Check for linker boilerplate output or warnings with
# the simple link test code.
m4_defun([_LT_LINKER_BOILERPLATE],
[m4_require([_LT_DECL_SED])dnl
ac_outfile=conftest.$ac_objext
echo "$lt_simple_link_test_code" >conftest.$ac_ext
eval "$ac_link" 2>&1 >/dev/null | $SED '/^$/d; /^ *+/d' >conftest.err
_lt_linker_boilerplate=`cat conftest.err`
$RM -r conftest*
])# _LT_LINKER_BOILERPLATE
# _LT_REQUIRED_DARWIN_CHECKS
# -------------------------
m4_defun_once([_LT_REQUIRED_DARWIN_CHECKS],[
case $host_os in
rhapsody* | darwin*)
AC_CHECK_TOOL([DSYMUTIL], [dsymutil], [:])
AC_CHECK_TOOL([NMEDIT], [nmedit], [:])
AC_CHECK_TOOL([LIPO], [lipo], [:])
AC_CHECK_TOOL([OTOOL], [otool], [:])
AC_CHECK_TOOL([OTOOL64], [otool64], [:])
_LT_DECL([], [DSYMUTIL], [1],
[Tool to manipulate archived DWARF debug symbol files on Mac OS X])
_LT_DECL([], [NMEDIT], [1],
[Tool to change global to local symbols on Mac OS X])
_LT_DECL([], [LIPO], [1],
[Tool to manipulate fat objects and archives on Mac OS X])
_LT_DECL([], [OTOOL], [1],
[ldd/readelf like tool for Mach-O binaries on Mac OS X])
_LT_DECL([], [OTOOL64], [1],
[ldd/readelf like tool for 64 bit Mach-O binaries on Mac OS X 10.4])
AC_CACHE_CHECK([for -single_module linker flag],[lt_cv_apple_cc_single_mod],
[lt_cv_apple_cc_single_mod=no
if test -z "${LT_MULTI_MODULE}"; then
# By default we will add the -single_module flag. You can override
# by either setting the environment variable LT_MULTI_MODULE
# non-empty at configure time, or by adding -multi_module to the
# link flags.
rm -rf libconftest.dylib*
echo "int foo(void){return 1;}" > conftest.c
echo "$LTCC $LTCFLAGS $LDFLAGS -o libconftest.dylib \
-dynamiclib -Wl,-single_module conftest.c" >&AS_MESSAGE_LOG_FD
$LTCC $LTCFLAGS $LDFLAGS -o libconftest.dylib \
-dynamiclib -Wl,-single_module conftest.c 2>conftest.err
_lt_result=$?
# If there is a non-empty error log, and "single_module"
# appears in it, assume the flag caused a linker warning
if test -s conftest.err && $GREP single_module conftest.err; then
cat conftest.err >&AS_MESSAGE_LOG_FD
# Otherwise, if the output was created with a 0 exit code from
# the compiler, it worked.
elif test -f libconftest.dylib && test $_lt_result -eq 0; then
lt_cv_apple_cc_single_mod=yes
else
cat conftest.err >&AS_MESSAGE_LOG_FD
fi
rm -rf libconftest.dylib*
rm -f conftest.*
fi])
AC_CACHE_CHECK([for -exported_symbols_list linker flag],
[lt_cv_ld_exported_symbols_list],
[lt_cv_ld_exported_symbols_list=no
save_LDFLAGS=$LDFLAGS
echo "_main" > conftest.sym
LDFLAGS="$LDFLAGS -Wl,-exported_symbols_list,conftest.sym"
AC_LINK_IFELSE([AC_LANG_PROGRAM([],[])],
[lt_cv_ld_exported_symbols_list=yes],
[lt_cv_ld_exported_symbols_list=no])
LDFLAGS="$save_LDFLAGS"
])
AC_CACHE_CHECK([for -force_load linker flag],[lt_cv_ld_force_load],
[lt_cv_ld_force_load=no
cat > conftest.c << _LT_EOF
int forced_loaded() { return 2;}
_LT_EOF
echo "$LTCC $LTCFLAGS -c -o conftest.o conftest.c" >&AS_MESSAGE_LOG_FD
$LTCC $LTCFLAGS -c -o conftest.o conftest.c 2>&AS_MESSAGE_LOG_FD
echo "$AR cru libconftest.a conftest.o" >&AS_MESSAGE_LOG_FD
$AR cru libconftest.a conftest.o 2>&AS_MESSAGE_LOG_FD
echo "$RANLIB libconftest.a" >&AS_MESSAGE_LOG_FD
$RANLIB libconftest.a 2>&AS_MESSAGE_LOG_FD
cat > conftest.c << _LT_EOF
int main() { return 0;}
_LT_EOF
echo "$LTCC $LTCFLAGS $LDFLAGS -o conftest conftest.c -Wl,-force_load,./libconftest.a" >&AS_MESSAGE_LOG_FD
$LTCC $LTCFLAGS $LDFLAGS -o conftest conftest.c -Wl,-force_load,./libconftest.a 2>conftest.err
_lt_result=$?
if test -s conftest.err && $GREP force_load conftest.err; then
cat conftest.err >&AS_MESSAGE_LOG_FD
elif test -f conftest && test $_lt_result -eq 0 && $GREP forced_load conftest >/dev/null 2>&1 ; then
lt_cv_ld_force_load=yes
else
cat conftest.err >&AS_MESSAGE_LOG_FD
fi
rm -f conftest.err libconftest.a conftest conftest.c
rm -rf conftest.dSYM
])
case $host_os in
rhapsody* | darwin1.[[012]])
_lt_dar_allow_undefined='${wl}-undefined ${wl}suppress' ;;
darwin1.*)
_lt_dar_allow_undefined='${wl}-flat_namespace ${wl}-undefined ${wl}suppress' ;;
darwin*) # darwin 5.x on
# if running on 10.5 or later, the deployment target defaults
# to the OS version, if on x86, and 10.4, the deployment
# target defaults to 10.4. Don't you love it?
case ${MACOSX_DEPLOYMENT_TARGET-10.0},$host in
10.0,*86*-darwin8*|10.0,*-darwin[[91]]*)
_lt_dar_allow_undefined='${wl}-undefined ${wl}dynamic_lookup' ;;
10.[[012]]*)
_lt_dar_allow_undefined='${wl}-flat_namespace ${wl}-undefined ${wl}suppress' ;;
10.*)
_lt_dar_allow_undefined='${wl}-undefined ${wl}dynamic_lookup' ;;
esac
;;
esac
if test "$lt_cv_apple_cc_single_mod" = "yes"; then
_lt_dar_single_mod='$single_module'
fi
if test "$lt_cv_ld_exported_symbols_list" = "yes"; then
_lt_dar_export_syms=' ${wl}-exported_symbols_list,$output_objdir/${libname}-symbols.expsym'
else
_lt_dar_export_syms='~$NMEDIT -s $output_objdir/${libname}-symbols.expsym ${lib}'
fi
if test "$DSYMUTIL" != ":" && test "$lt_cv_ld_force_load" = "no"; then
_lt_dsymutil='~$DSYMUTIL $lib || :'
else
_lt_dsymutil=
fi
;;
esac
])
# _LT_DARWIN_LINKER_FEATURES([TAG])
# ---------------------------------
# Checks for linker and compiler features on darwin
m4_defun([_LT_DARWIN_LINKER_FEATURES],
[
m4_require([_LT_REQUIRED_DARWIN_CHECKS])
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_automatic, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=unsupported
if test "$lt_cv_ld_force_load" = "yes"; then
_LT_TAGVAR(whole_archive_flag_spec, $1)='`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience ${wl}-force_load,$conv\"; done; func_echo_all \"$new_convenience\"`'
m4_case([$1], [F77], [_LT_TAGVAR(compiler_needs_object, $1)=yes],
[FC], [_LT_TAGVAR(compiler_needs_object, $1)=yes])
else
_LT_TAGVAR(whole_archive_flag_spec, $1)=''
fi
_LT_TAGVAR(link_all_deplibs, $1)=yes
_LT_TAGVAR(allow_undefined_flag, $1)="$_lt_dar_allow_undefined"
case $cc_basename in
ifort*) _lt_dar_can_shared=yes ;;
*) _lt_dar_can_shared=$GCC ;;
esac
if test "$_lt_dar_can_shared" = "yes"; then
output_verbose_link_cmd=func_echo_all
_LT_TAGVAR(archive_cmds, $1)="\$CC -dynamiclib \$allow_undefined_flag -o \$lib \$libobjs \$deplibs \$compiler_flags -install_name \$rpath/\$soname \$verstring $_lt_dar_single_mod${_lt_dsymutil}"
_LT_TAGVAR(module_cmds, $1)="\$CC \$allow_undefined_flag -o \$lib -bundle \$libobjs \$deplibs \$compiler_flags${_lt_dsymutil}"
_LT_TAGVAR(archive_expsym_cmds, $1)="sed 's,^,_,' < \$export_symbols > \$output_objdir/\${libname}-symbols.expsym~\$CC -dynamiclib \$allow_undefined_flag -o \$lib \$libobjs \$deplibs \$compiler_flags -install_name \$rpath/\$soname \$verstring ${_lt_dar_single_mod}${_lt_dar_export_syms}${_lt_dsymutil}"
_LT_TAGVAR(module_expsym_cmds, $1)="sed -e 's,^,_,' < \$export_symbols > \$output_objdir/\${libname}-symbols.expsym~\$CC \$allow_undefined_flag -o \$lib -bundle \$libobjs \$deplibs \$compiler_flags${_lt_dar_export_syms}${_lt_dsymutil}"
m4_if([$1], [CXX],
[ if test "$lt_cv_apple_cc_single_mod" != "yes"; then
_LT_TAGVAR(archive_cmds, $1)="\$CC -r -keep_private_externs -nostdlib -o \${lib}-master.o \$libobjs~\$CC -dynamiclib \$allow_undefined_flag -o \$lib \${lib}-master.o \$deplibs \$compiler_flags -install_name \$rpath/\$soname \$verstring${_lt_dsymutil}"
_LT_TAGVAR(archive_expsym_cmds, $1)="sed 's,^,_,' < \$export_symbols > \$output_objdir/\${libname}-symbols.expsym~\$CC -r -keep_private_externs -nostdlib -o \${lib}-master.o \$libobjs~\$CC -dynamiclib \$allow_undefined_flag -o \$lib \${lib}-master.o \$deplibs \$compiler_flags -install_name \$rpath/\$soname \$verstring${_lt_dar_export_syms}${_lt_dsymutil}"
fi
],[])
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
])
# _LT_SYS_MODULE_PATH_AIX([TAGNAME])
# ----------------------------------
# Links a minimal program and checks the executable
# for the system default hardcoded library path. In most cases,
# this is /usr/lib:/lib, but when the MPI compilers are used
# the location of the communication and MPI libs are included too.
# If we don't find anything, use the default library path according
# to the aix ld manual.
# Store the results from the different compilers for each TAGNAME.
# Allow to override them for all tags through lt_cv_aix_libpath.
m4_defun([_LT_SYS_MODULE_PATH_AIX],
[m4_require([_LT_DECL_SED])dnl
if test "${lt_cv_aix_libpath+set}" = set; then
aix_libpath=$lt_cv_aix_libpath
else
AC_CACHE_VAL([_LT_TAGVAR([lt_cv_aix_libpath_], [$1])],
[AC_LINK_IFELSE([AC_LANG_PROGRAM],[
lt_aix_libpath_sed='[
/Import File Strings/,/^$/ {
/^0/ {
s/^0 *\([^ ]*\) *$/\1/
p
}
}]'
_LT_TAGVAR([lt_cv_aix_libpath_], [$1])=`dump -H conftest$ac_exeext 2>/dev/null | $SED -n -e "$lt_aix_libpath_sed"`
# Check for a 64-bit object if we didn't find anything.
if test -z "$_LT_TAGVAR([lt_cv_aix_libpath_], [$1])"; then
_LT_TAGVAR([lt_cv_aix_libpath_], [$1])=`dump -HX64 conftest$ac_exeext 2>/dev/null | $SED -n -e "$lt_aix_libpath_sed"`
fi],[])
if test -z "$_LT_TAGVAR([lt_cv_aix_libpath_], [$1])"; then
_LT_TAGVAR([lt_cv_aix_libpath_], [$1])="/usr/lib:/lib"
fi
])
aix_libpath=$_LT_TAGVAR([lt_cv_aix_libpath_], [$1])
fi
])# _LT_SYS_MODULE_PATH_AIX
# _LT_SHELL_INIT(ARG)
# -------------------
m4_define([_LT_SHELL_INIT],
[m4_divert_text([M4SH-INIT], [$1
])])# _LT_SHELL_INIT
# _LT_PROG_ECHO_BACKSLASH
# -----------------------
# Find how we can fake an echo command that does not interpret backslash.
# In particular, with Autoconf 2.60 or later we add some code to the start
# of the generated configure script which will find a shell with a builtin
# printf (which we can use as an echo command).
m4_defun([_LT_PROG_ECHO_BACKSLASH],
[ECHO='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\'
ECHO=$ECHO$ECHO$ECHO$ECHO$ECHO
ECHO=$ECHO$ECHO$ECHO$ECHO$ECHO$ECHO
AC_MSG_CHECKING([how to print strings])
# Test print first, because it will be a builtin if present.
if test "X`( print -r -- -n ) 2>/dev/null`" = X-n && \
test "X`print -r -- $ECHO 2>/dev/null`" = "X$ECHO"; then
ECHO='print -r --'
elif test "X`printf %s $ECHO 2>/dev/null`" = "X$ECHO"; then
ECHO='printf %s\n'
else
# Use this function as a fallback that always works.
func_fallback_echo ()
{
eval 'cat <<_LTECHO_EOF
$[]1
_LTECHO_EOF'
}
ECHO='func_fallback_echo'
fi
# func_echo_all arg...
# Invoke $ECHO with all args, space-separated.
func_echo_all ()
{
$ECHO "$*"
}
case "$ECHO" in
printf*) AC_MSG_RESULT([printf]) ;;
print*) AC_MSG_RESULT([print -r]) ;;
*) AC_MSG_RESULT([cat]) ;;
esac
m4_ifdef([_AS_DETECT_SUGGESTED],
[_AS_DETECT_SUGGESTED([
test -n "${ZSH_VERSION+set}${BASH_VERSION+set}" || (
ECHO='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\'
ECHO=$ECHO$ECHO$ECHO$ECHO$ECHO
ECHO=$ECHO$ECHO$ECHO$ECHO$ECHO$ECHO
PATH=/empty FPATH=/empty; export PATH FPATH
test "X`printf %s $ECHO`" = "X$ECHO" \
|| test "X`print -r -- $ECHO`" = "X$ECHO" )])])
_LT_DECL([], [SHELL], [1], [Shell to use when invoking shell scripts])
_LT_DECL([], [ECHO], [1], [An echo program that protects backslashes])
])# _LT_PROG_ECHO_BACKSLASH
# _LT_WITH_SYSROOT
# ----------------
AC_DEFUN([_LT_WITH_SYSROOT],
[AC_MSG_CHECKING([for sysroot])
AC_ARG_WITH([sysroot],
[ --with-sysroot[=DIR] Search for dependent libraries within DIR
(or the compiler's sysroot if not specified).],
[], [with_sysroot=no])
dnl lt_sysroot will always be passed unquoted. We quote it here
dnl in case the user passed a directory name.
lt_sysroot=
case ${with_sysroot} in #(
yes)
if test "$GCC" = yes; then
lt_sysroot=`$CC --print-sysroot 2>/dev/null`
fi
;; #(
/*)
lt_sysroot=`echo "$with_sysroot" | sed -e "$sed_quote_subst"`
;; #(
no|'')
;; #(
*)
AC_MSG_RESULT([${with_sysroot}])
AC_MSG_ERROR([The sysroot must be an absolute path.])
;;
esac
AC_MSG_RESULT([${lt_sysroot:-no}])
_LT_DECL([], [lt_sysroot], [0], [The root where to search for ]dnl
[dependent libraries, and in which our libraries should be installed.])])
# _LT_ENABLE_LOCK
# ---------------
m4_defun([_LT_ENABLE_LOCK],
[AC_ARG_ENABLE([libtool-lock],
[AS_HELP_STRING([--disable-libtool-lock],
[avoid locking (might break parallel builds)])])
test "x$enable_libtool_lock" != xno && enable_libtool_lock=yes
# Some flags need to be propagated to the compiler or linker for good
# libtool support.
case $host in
ia64-*-hpux*)
# Find out which ABI we are using.
echo 'int i;' > conftest.$ac_ext
if AC_TRY_EVAL(ac_compile); then
case `/usr/bin/file conftest.$ac_objext` in
*ELF-32*)
HPUX_IA64_MODE="32"
;;
*ELF-64*)
HPUX_IA64_MODE="64"
;;
esac
fi
rm -rf conftest*
;;
*-*-irix6*)
# Find out which ABI we are using.
echo '[#]line '$LINENO' "configure"' > conftest.$ac_ext
if AC_TRY_EVAL(ac_compile); then
if test "$lt_cv_prog_gnu_ld" = yes; then
case `/usr/bin/file conftest.$ac_objext` in
*32-bit*)
LD="${LD-ld} -melf32bsmip"
;;
*N32*)
LD="${LD-ld} -melf32bmipn32"
;;
*64-bit*)
LD="${LD-ld} -melf64bmip"
;;
esac
else
case `/usr/bin/file conftest.$ac_objext` in
*32-bit*)
LD="${LD-ld} -32"
;;
*N32*)
LD="${LD-ld} -n32"
;;
*64-bit*)
LD="${LD-ld} -64"
;;
esac
fi
fi
rm -rf conftest*
;;
x86_64-*kfreebsd*-gnu|x86_64-*linux*|powerpc*-*linux*| \
s390*-*linux*|s390*-*tpf*|sparc*-*linux*)
# Find out which ABI we are using.
echo 'int i;' > conftest.$ac_ext
if AC_TRY_EVAL(ac_compile); then
case `/usr/bin/file conftest.o` in
*32-bit*)
case $host in
x86_64-*kfreebsd*-gnu)
LD="${LD-ld} -m elf_i386_fbsd"
;;
x86_64-*linux*)
LD="${LD-ld} -m elf_i386"
;;
powerpc64le-*linux*)
LD="${LD-ld} -m elf32lppclinux"
;;
powerpc64-*linux*)
LD="${LD-ld} -m elf32ppclinux"
;;
s390x-*linux*)
LD="${LD-ld} -m elf_s390"
;;
sparc64-*linux*)
LD="${LD-ld} -m elf32_sparc"
;;
esac
;;
*64-bit*)
case $host in
x86_64-*kfreebsd*-gnu)
LD="${LD-ld} -m elf_x86_64_fbsd"
;;
x86_64-*linux*)
LD="${LD-ld} -m elf_x86_64"
;;
powerpcle-*linux*)
LD="${LD-ld} -m elf64lppc"
;;
powerpc-*linux*)
LD="${LD-ld} -m elf64ppc"
;;
s390*-*linux*|s390*-*tpf*)
LD="${LD-ld} -m elf64_s390"
;;
sparc*-*linux*)
LD="${LD-ld} -m elf64_sparc"
;;
esac
;;
esac
fi
rm -rf conftest*
;;
*-*-sco3.2v5*)
# On SCO OpenServer 5, we need -belf to get full-featured binaries.
SAVE_CFLAGS="$CFLAGS"
CFLAGS="$CFLAGS -belf"
AC_CACHE_CHECK([whether the C compiler needs -belf], lt_cv_cc_needs_belf,
[AC_LANG_PUSH(C)
AC_LINK_IFELSE([AC_LANG_PROGRAM([[]],[[]])],[lt_cv_cc_needs_belf=yes],[lt_cv_cc_needs_belf=no])
AC_LANG_POP])
if test x"$lt_cv_cc_needs_belf" != x"yes"; then
# this is probably gcc 2.8.0, egcs 1.0 or newer; no need for -belf
CFLAGS="$SAVE_CFLAGS"
fi
;;
*-*solaris*)
# Find out which ABI we are using.
echo 'int i;' > conftest.$ac_ext
if AC_TRY_EVAL(ac_compile); then
case `/usr/bin/file conftest.o` in
*64-bit*)
case $lt_cv_prog_gnu_ld in
yes*)
case $host in
i?86-*-solaris*)
LD="${LD-ld} -m elf_x86_64"
;;
sparc*-*-solaris*)
LD="${LD-ld} -m elf64_sparc"
;;
esac
# GNU ld 2.21 introduced _sol2 emulations. Use them if available.
if ${LD-ld} -V | grep _sol2 >/dev/null 2>&1; then
LD="${LD-ld}_sol2"
fi
;;
*)
if ${LD-ld} -64 -r -o conftest2.o conftest.o >/dev/null 2>&1; then
LD="${LD-ld} -64"
fi
;;
esac
;;
esac
fi
rm -rf conftest*
;;
esac
need_locks="$enable_libtool_lock"
])# _LT_ENABLE_LOCK
# _LT_PROG_AR
# -----------
m4_defun([_LT_PROG_AR],
[AC_CHECK_TOOLS(AR, [ar], false)
: ${AR=ar}
: ${AR_FLAGS=cru}
_LT_DECL([], [AR], [1], [The archiver])
_LT_DECL([], [AR_FLAGS], [1], [Flags to create an archive])
AC_CACHE_CHECK([for archiver @FILE support], [lt_cv_ar_at_file],
[lt_cv_ar_at_file=no
AC_COMPILE_IFELSE([AC_LANG_PROGRAM],
[echo conftest.$ac_objext > conftest.lst
lt_ar_try='$AR $AR_FLAGS libconftest.a @conftest.lst >&AS_MESSAGE_LOG_FD'
AC_TRY_EVAL([lt_ar_try])
if test "$ac_status" -eq 0; then
# Ensure the archiver fails upon bogus file names.
rm -f conftest.$ac_objext libconftest.a
AC_TRY_EVAL([lt_ar_try])
if test "$ac_status" -ne 0; then
lt_cv_ar_at_file=@
fi
fi
rm -f conftest.* libconftest.a
])
])
if test "x$lt_cv_ar_at_file" = xno; then
archiver_list_spec=
else
archiver_list_spec=$lt_cv_ar_at_file
fi
_LT_DECL([], [archiver_list_spec], [1],
[How to feed a file listing to the archiver])
])# _LT_PROG_AR
# _LT_CMD_OLD_ARCHIVE
# -------------------
m4_defun([_LT_CMD_OLD_ARCHIVE],
[_LT_PROG_AR
AC_CHECK_TOOL(STRIP, strip, :)
test -z "$STRIP" && STRIP=:
_LT_DECL([], [STRIP], [1], [A symbol stripping program])
AC_CHECK_TOOL(RANLIB, ranlib, :)
test -z "$RANLIB" && RANLIB=:
_LT_DECL([], [RANLIB], [1],
[Commands used to install an old-style archive])
# Determine commands to create old-style static archives.
old_archive_cmds='$AR $AR_FLAGS $oldlib$oldobjs'
old_postinstall_cmds='chmod 644 $oldlib'
old_postuninstall_cmds=
if test -n "$RANLIB"; then
case $host_os in
openbsd*)
old_postinstall_cmds="$old_postinstall_cmds~\$RANLIB -t \$tool_oldlib"
;;
*)
old_postinstall_cmds="$old_postinstall_cmds~\$RANLIB \$tool_oldlib"
;;
esac
old_archive_cmds="$old_archive_cmds~\$RANLIB \$tool_oldlib"
fi
case $host_os in
darwin*)
lock_old_archive_extraction=yes ;;
*)
lock_old_archive_extraction=no ;;
esac
_LT_DECL([], [old_postinstall_cmds], [2])
_LT_DECL([], [old_postuninstall_cmds], [2])
_LT_TAGDECL([], [old_archive_cmds], [2],
[Commands used to build an old-style archive])
_LT_DECL([], [lock_old_archive_extraction], [0],
[Whether to use a lock for old archive extraction])
])# _LT_CMD_OLD_ARCHIVE
# _LT_COMPILER_OPTION(MESSAGE, VARIABLE-NAME, FLAGS,
# [OUTPUT-FILE], [ACTION-SUCCESS], [ACTION-FAILURE])
# ----------------------------------------------------------------
# Check whether the given compiler option works
AC_DEFUN([_LT_COMPILER_OPTION],
[m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_DECL_SED])dnl
AC_CACHE_CHECK([$1], [$2],
[$2=no
m4_if([$4], , [ac_outfile=conftest.$ac_objext], [ac_outfile=$4])
echo "$lt_simple_compile_test_code" > conftest.$ac_ext
lt_compiler_flag="$3"
# Insert the option either (1) after the last *FLAGS variable, or
# (2) before a word containing "conftest.", or (3) at the end.
# Note that $ac_compile itself does not contain backslashes and begins
# with a dollar sign (not a hyphen), so the echo should work correctly.
# The option is referenced via a variable to avoid confusing sed.
lt_compile=`echo "$ac_compile" | $SED \
-e 's:.*FLAGS}\{0,1\} :&$lt_compiler_flag :; t' \
-e 's: [[^ ]]*conftest\.: $lt_compiler_flag&:; t' \
-e 's:$: $lt_compiler_flag:'`
(eval echo "\"\$as_me:$LINENO: $lt_compile\"" >&AS_MESSAGE_LOG_FD)
(eval "$lt_compile" 2>conftest.err)
ac_status=$?
cat conftest.err >&AS_MESSAGE_LOG_FD
echo "$as_me:$LINENO: \$? = $ac_status" >&AS_MESSAGE_LOG_FD
if (exit $ac_status) && test -s "$ac_outfile"; then
# The compiler can only warn and ignore the option if not recognized
# So say no if there are warnings other than the usual output.
$ECHO "$_lt_compiler_boilerplate" | $SED '/^$/d' >conftest.exp
$SED '/^$/d; /^ *+/d' conftest.err >conftest.er2
if test ! -s conftest.er2 || diff conftest.exp conftest.er2 >/dev/null; then
$2=yes
fi
fi
$RM conftest*
])
if test x"[$]$2" = xyes; then
m4_if([$5], , :, [$5])
else
m4_if([$6], , :, [$6])
fi
])# _LT_COMPILER_OPTION
# Old name:
AU_ALIAS([AC_LIBTOOL_COMPILER_OPTION], [_LT_COMPILER_OPTION])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_COMPILER_OPTION], [])
# _LT_LINKER_OPTION(MESSAGE, VARIABLE-NAME, FLAGS,
# [ACTION-SUCCESS], [ACTION-FAILURE])
# ----------------------------------------------------
# Check whether the given linker option works
AC_DEFUN([_LT_LINKER_OPTION],
[m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_DECL_SED])dnl
AC_CACHE_CHECK([$1], [$2],
[$2=no
save_LDFLAGS="$LDFLAGS"
LDFLAGS="$LDFLAGS $3"
echo "$lt_simple_link_test_code" > conftest.$ac_ext
if (eval $ac_link 2>conftest.err) && test -s conftest$ac_exeext; then
# The linker can only warn and ignore the option if not recognized
# So say no if there are warnings
if test -s conftest.err; then
# Append any errors to the config.log.
cat conftest.err 1>&AS_MESSAGE_LOG_FD
$ECHO "$_lt_linker_boilerplate" | $SED '/^$/d' > conftest.exp
$SED '/^$/d; /^ *+/d' conftest.err >conftest.er2
if diff conftest.exp conftest.er2 >/dev/null; then
$2=yes
fi
else
$2=yes
fi
fi
$RM -r conftest*
LDFLAGS="$save_LDFLAGS"
])
if test x"[$]$2" = xyes; then
m4_if([$4], , :, [$4])
else
m4_if([$5], , :, [$5])
fi
])# _LT_LINKER_OPTION
# Old name:
AU_ALIAS([AC_LIBTOOL_LINKER_OPTION], [_LT_LINKER_OPTION])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_LINKER_OPTION], [])
# LT_CMD_MAX_LEN
#---------------
AC_DEFUN([LT_CMD_MAX_LEN],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
# find the maximum length of command line arguments
AC_MSG_CHECKING([the maximum length of command line arguments])
AC_CACHE_VAL([lt_cv_sys_max_cmd_len], [dnl
i=0
teststring="ABCD"
case $build_os in
msdosdjgpp*)
# On DJGPP, this test can blow up pretty badly due to problems in libc
# (any single argument exceeding 2000 bytes causes a buffer overrun
# during glob expansion). Even if it were fixed, the result of this
# check would be larger than it should be.
lt_cv_sys_max_cmd_len=12288; # 12K is about right
;;
gnu*)
# Under GNU Hurd, this test is not required because there is
# no limit to the length of command line arguments.
# Libtool will interpret -1 as no limit whatsoever
lt_cv_sys_max_cmd_len=-1;
;;
cygwin* | mingw* | cegcc*)
# On Win9x/ME, this test blows up -- it succeeds, but takes
# about 5 minutes as the teststring grows exponentially.
# Worse, since 9x/ME are not pre-emptively multitasking,
# you end up with a "frozen" computer, even though with patience
# the test eventually succeeds (with a max line length of 256k).
# Instead, let's just punt: use the minimum linelength reported by
# all of the supported platforms: 8192 (on NT/2K/XP).
lt_cv_sys_max_cmd_len=8192;
;;
mint*)
# On MiNT this can take a long time and run out of memory.
lt_cv_sys_max_cmd_len=8192;
;;
amigaos*)
# On AmigaOS with pdksh, this test takes hours, literally.
# So we just punt and use a minimum line length of 8192.
lt_cv_sys_max_cmd_len=8192;
;;
netbsd* | freebsd* | openbsd* | darwin* | dragonfly*)
# This has been around since 386BSD, at least. Likely further.
if test -x /sbin/sysctl; then
lt_cv_sys_max_cmd_len=`/sbin/sysctl -n kern.argmax`
elif test -x /usr/sbin/sysctl; then
lt_cv_sys_max_cmd_len=`/usr/sbin/sysctl -n kern.argmax`
else
lt_cv_sys_max_cmd_len=65536 # usable default for all BSDs
fi
# And add a safety zone
lt_cv_sys_max_cmd_len=`expr $lt_cv_sys_max_cmd_len \/ 4`
lt_cv_sys_max_cmd_len=`expr $lt_cv_sys_max_cmd_len \* 3`
;;
interix*)
# We know the value 262144 and hardcode it with a safety zone (like BSD)
lt_cv_sys_max_cmd_len=196608
;;
os2*)
# The test takes a long time on OS/2.
lt_cv_sys_max_cmd_len=8192
;;
osf*)
# Dr. Hans Ekkehard Plesser reports seeing a kernel panic running configure
# due to this test when exec_disable_arg_limit is 1 on Tru64. It is not
# nice to cause kernel panics so lets avoid the loop below.
# First set a reasonable default.
lt_cv_sys_max_cmd_len=16384
#
if test -x /sbin/sysconfig; then
case `/sbin/sysconfig -q proc exec_disable_arg_limit` in
*1*) lt_cv_sys_max_cmd_len=-1 ;;
esac
fi
;;
sco3.2v5*)
lt_cv_sys_max_cmd_len=102400
;;
sysv5* | sco5v6* | sysv4.2uw2*)
kargmax=`grep ARG_MAX /etc/conf/cf.d/stune 2>/dev/null`
if test -n "$kargmax"; then
lt_cv_sys_max_cmd_len=`echo $kargmax | sed 's/.*[[ ]]//'`
else
lt_cv_sys_max_cmd_len=32768
fi
;;
*)
lt_cv_sys_max_cmd_len=`(getconf ARG_MAX) 2> /dev/null`
if test -n "$lt_cv_sys_max_cmd_len"; then
lt_cv_sys_max_cmd_len=`expr $lt_cv_sys_max_cmd_len \/ 4`
lt_cv_sys_max_cmd_len=`expr $lt_cv_sys_max_cmd_len \* 3`
else
# Make teststring a little bigger before we do anything with it.
# a 1K string should be a reasonable start.
for i in 1 2 3 4 5 6 7 8 ; do
teststring=$teststring$teststring
done
SHELL=${SHELL-${CONFIG_SHELL-/bin/sh}}
# If test is not a shell built-in, we'll probably end up computing a
# maximum length that is only half of the actual maximum length, but
# we can't tell.
while { test "X"`env echo "$teststring$teststring" 2>/dev/null` \
= "X$teststring$teststring"; } >/dev/null 2>&1 &&
test $i != 17 # 1/2 MB should be enough
do
i=`expr $i + 1`
teststring=$teststring$teststring
done
# Only check the string length outside the loop.
lt_cv_sys_max_cmd_len=`expr "X$teststring" : ".*" 2>&1`
teststring=
# Add a significant safety factor because C++ compilers can tack on
# massive amounts of additional arguments before passing them to the
# linker. It appears as though 1/2 is a usable value.
lt_cv_sys_max_cmd_len=`expr $lt_cv_sys_max_cmd_len \/ 2`
fi
;;
esac
])
if test -n $lt_cv_sys_max_cmd_len ; then
AC_MSG_RESULT($lt_cv_sys_max_cmd_len)
else
AC_MSG_RESULT(none)
fi
max_cmd_len=$lt_cv_sys_max_cmd_len
_LT_DECL([], [max_cmd_len], [0],
[What is the maximum length of a command?])
])# LT_CMD_MAX_LEN
# Old name:
AU_ALIAS([AC_LIBTOOL_SYS_MAX_CMD_LEN], [LT_CMD_MAX_LEN])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_SYS_MAX_CMD_LEN], [])
# _LT_HEADER_DLFCN
# ----------------
m4_defun([_LT_HEADER_DLFCN],
[AC_CHECK_HEADERS([dlfcn.h], [], [], [AC_INCLUDES_DEFAULT])dnl
])# _LT_HEADER_DLFCN
# _LT_TRY_DLOPEN_SELF (ACTION-IF-TRUE, ACTION-IF-TRUE-W-USCORE,
# ACTION-IF-FALSE, ACTION-IF-CROSS-COMPILING)
# ----------------------------------------------------------------
m4_defun([_LT_TRY_DLOPEN_SELF],
[m4_require([_LT_HEADER_DLFCN])dnl
if test "$cross_compiling" = yes; then :
[$4]
else
lt_dlunknown=0; lt_dlno_uscore=1; lt_dlneed_uscore=2
lt_status=$lt_dlunknown
cat > conftest.$ac_ext <<_LT_EOF
[#line $LINENO "configure"
#include "confdefs.h"
#if HAVE_DLFCN_H
#include
#endif
#include
#ifdef RTLD_GLOBAL
# define LT_DLGLOBAL RTLD_GLOBAL
#else
# ifdef DL_GLOBAL
# define LT_DLGLOBAL DL_GLOBAL
# else
# define LT_DLGLOBAL 0
# endif
#endif
/* We may have to define LT_DLLAZY_OR_NOW in the command line if we
find out it does not work in some platform. */
#ifndef LT_DLLAZY_OR_NOW
# ifdef RTLD_LAZY
# define LT_DLLAZY_OR_NOW RTLD_LAZY
# else
# ifdef DL_LAZY
# define LT_DLLAZY_OR_NOW DL_LAZY
# else
# ifdef RTLD_NOW
# define LT_DLLAZY_OR_NOW RTLD_NOW
# else
# ifdef DL_NOW
# define LT_DLLAZY_OR_NOW DL_NOW
# else
# define LT_DLLAZY_OR_NOW 0
# endif
# endif
# endif
# endif
#endif
/* When -fvisbility=hidden is used, assume the code has been annotated
correspondingly for the symbols needed. */
#if defined(__GNUC__) && (((__GNUC__ == 3) && (__GNUC_MINOR__ >= 3)) || (__GNUC__ > 3))
int fnord () __attribute__((visibility("default")));
#endif
int fnord () { return 42; }
int main ()
{
void *self = dlopen (0, LT_DLGLOBAL|LT_DLLAZY_OR_NOW);
int status = $lt_dlunknown;
if (self)
{
if (dlsym (self,"fnord")) status = $lt_dlno_uscore;
else
{
if (dlsym( self,"_fnord")) status = $lt_dlneed_uscore;
else puts (dlerror ());
}
/* dlclose (self); */
}
else
puts (dlerror ());
return status;
}]
_LT_EOF
if AC_TRY_EVAL(ac_link) && test -s conftest${ac_exeext} 2>/dev/null; then
(./conftest; exit; ) >&AS_MESSAGE_LOG_FD 2>/dev/null
lt_status=$?
case x$lt_status in
x$lt_dlno_uscore) $1 ;;
x$lt_dlneed_uscore) $2 ;;
x$lt_dlunknown|x*) $3 ;;
esac
else :
# compilation failed
$3
fi
fi
rm -fr conftest*
])# _LT_TRY_DLOPEN_SELF
# LT_SYS_DLOPEN_SELF
# ------------------
AC_DEFUN([LT_SYS_DLOPEN_SELF],
[m4_require([_LT_HEADER_DLFCN])dnl
if test "x$enable_dlopen" != xyes; then
enable_dlopen=unknown
enable_dlopen_self=unknown
enable_dlopen_self_static=unknown
else
lt_cv_dlopen=no
lt_cv_dlopen_libs=
case $host_os in
beos*)
lt_cv_dlopen="load_add_on"
lt_cv_dlopen_libs=
lt_cv_dlopen_self=yes
;;
mingw* | pw32* | cegcc*)
lt_cv_dlopen="LoadLibrary"
lt_cv_dlopen_libs=
;;
cygwin*)
lt_cv_dlopen="dlopen"
lt_cv_dlopen_libs=
;;
darwin*)
# if libdl is installed we need to link against it
AC_CHECK_LIB([dl], [dlopen],
[lt_cv_dlopen="dlopen" lt_cv_dlopen_libs="-ldl"],[
lt_cv_dlopen="dyld"
lt_cv_dlopen_libs=
lt_cv_dlopen_self=yes
])
;;
*)
AC_CHECK_FUNC([shl_load],
[lt_cv_dlopen="shl_load"],
[AC_CHECK_LIB([dld], [shl_load],
[lt_cv_dlopen="shl_load" lt_cv_dlopen_libs="-ldld"],
[AC_CHECK_FUNC([dlopen],
[lt_cv_dlopen="dlopen"],
[AC_CHECK_LIB([dl], [dlopen],
[lt_cv_dlopen="dlopen" lt_cv_dlopen_libs="-ldl"],
[AC_CHECK_LIB([svld], [dlopen],
[lt_cv_dlopen="dlopen" lt_cv_dlopen_libs="-lsvld"],
[AC_CHECK_LIB([dld], [dld_link],
[lt_cv_dlopen="dld_link" lt_cv_dlopen_libs="-ldld"])
])
])
])
])
])
;;
esac
if test "x$lt_cv_dlopen" != xno; then
enable_dlopen=yes
else
enable_dlopen=no
fi
case $lt_cv_dlopen in
dlopen)
save_CPPFLAGS="$CPPFLAGS"
test "x$ac_cv_header_dlfcn_h" = xyes && CPPFLAGS="$CPPFLAGS -DHAVE_DLFCN_H"
save_LDFLAGS="$LDFLAGS"
wl=$lt_prog_compiler_wl eval LDFLAGS=\"\$LDFLAGS $export_dynamic_flag_spec\"
save_LIBS="$LIBS"
LIBS="$lt_cv_dlopen_libs $LIBS"
AC_CACHE_CHECK([whether a program can dlopen itself],
lt_cv_dlopen_self, [dnl
_LT_TRY_DLOPEN_SELF(
lt_cv_dlopen_self=yes, lt_cv_dlopen_self=yes,
lt_cv_dlopen_self=no, lt_cv_dlopen_self=cross)
])
if test "x$lt_cv_dlopen_self" = xyes; then
wl=$lt_prog_compiler_wl eval LDFLAGS=\"\$LDFLAGS $lt_prog_compiler_static\"
AC_CACHE_CHECK([whether a statically linked program can dlopen itself],
lt_cv_dlopen_self_static, [dnl
_LT_TRY_DLOPEN_SELF(
lt_cv_dlopen_self_static=yes, lt_cv_dlopen_self_static=yes,
lt_cv_dlopen_self_static=no, lt_cv_dlopen_self_static=cross)
])
fi
CPPFLAGS="$save_CPPFLAGS"
LDFLAGS="$save_LDFLAGS"
LIBS="$save_LIBS"
;;
esac
case $lt_cv_dlopen_self in
yes|no) enable_dlopen_self=$lt_cv_dlopen_self ;;
*) enable_dlopen_self=unknown ;;
esac
case $lt_cv_dlopen_self_static in
yes|no) enable_dlopen_self_static=$lt_cv_dlopen_self_static ;;
*) enable_dlopen_self_static=unknown ;;
esac
fi
_LT_DECL([dlopen_support], [enable_dlopen], [0],
[Whether dlopen is supported])
_LT_DECL([dlopen_self], [enable_dlopen_self], [0],
[Whether dlopen of programs is supported])
_LT_DECL([dlopen_self_static], [enable_dlopen_self_static], [0],
[Whether dlopen of statically linked programs is supported])
])# LT_SYS_DLOPEN_SELF
# Old name:
AU_ALIAS([AC_LIBTOOL_DLOPEN_SELF], [LT_SYS_DLOPEN_SELF])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_DLOPEN_SELF], [])
# _LT_COMPILER_C_O([TAGNAME])
# ---------------------------
# Check to see if options -c and -o are simultaneously supported by compiler.
# This macro does not hard code the compiler like AC_PROG_CC_C_O.
m4_defun([_LT_COMPILER_C_O],
[m4_require([_LT_DECL_SED])dnl
m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_TAG_COMPILER])dnl
AC_CACHE_CHECK([if $compiler supports -c -o file.$ac_objext],
[_LT_TAGVAR(lt_cv_prog_compiler_c_o, $1)],
[_LT_TAGVAR(lt_cv_prog_compiler_c_o, $1)=no
$RM -r conftest 2>/dev/null
mkdir conftest
cd conftest
mkdir out
echo "$lt_simple_compile_test_code" > conftest.$ac_ext
lt_compiler_flag="-o out/conftest2.$ac_objext"
# Insert the option either (1) after the last *FLAGS variable, or
# (2) before a word containing "conftest.", or (3) at the end.
# Note that $ac_compile itself does not contain backslashes and begins
# with a dollar sign (not a hyphen), so the echo should work correctly.
lt_compile=`echo "$ac_compile" | $SED \
-e 's:.*FLAGS}\{0,1\} :&$lt_compiler_flag :; t' \
-e 's: [[^ ]]*conftest\.: $lt_compiler_flag&:; t' \
-e 's:$: $lt_compiler_flag:'`
(eval echo "\"\$as_me:$LINENO: $lt_compile\"" >&AS_MESSAGE_LOG_FD)
(eval "$lt_compile" 2>out/conftest.err)
ac_status=$?
cat out/conftest.err >&AS_MESSAGE_LOG_FD
echo "$as_me:$LINENO: \$? = $ac_status" >&AS_MESSAGE_LOG_FD
if (exit $ac_status) && test -s out/conftest2.$ac_objext
then
# The compiler can only warn and ignore the option if not recognized
# So say no if there are warnings
$ECHO "$_lt_compiler_boilerplate" | $SED '/^$/d' > out/conftest.exp
$SED '/^$/d; /^ *+/d' out/conftest.err >out/conftest.er2
if test ! -s out/conftest.er2 || diff out/conftest.exp out/conftest.er2 >/dev/null; then
_LT_TAGVAR(lt_cv_prog_compiler_c_o, $1)=yes
fi
fi
chmod u+w . 2>&AS_MESSAGE_LOG_FD
$RM conftest*
# SGI C++ compiler will create directory out/ii_files/ for
# template instantiation
test -d out/ii_files && $RM out/ii_files/* && rmdir out/ii_files
$RM out/* && rmdir out
cd ..
$RM -r conftest
$RM conftest*
])
_LT_TAGDECL([compiler_c_o], [lt_cv_prog_compiler_c_o], [1],
[Does compiler simultaneously support -c and -o options?])
])# _LT_COMPILER_C_O
# _LT_COMPILER_FILE_LOCKS([TAGNAME])
# ----------------------------------
# Check to see if we can do hard links to lock some files if needed
m4_defun([_LT_COMPILER_FILE_LOCKS],
[m4_require([_LT_ENABLE_LOCK])dnl
m4_require([_LT_FILEUTILS_DEFAULTS])dnl
_LT_COMPILER_C_O([$1])
hard_links="nottested"
if test "$_LT_TAGVAR(lt_cv_prog_compiler_c_o, $1)" = no && test "$need_locks" != no; then
# do not overwrite the value of need_locks provided by the user
AC_MSG_CHECKING([if we can lock with hard links])
hard_links=yes
$RM conftest*
ln conftest.a conftest.b 2>/dev/null && hard_links=no
touch conftest.a
ln conftest.a conftest.b 2>&5 || hard_links=no
ln conftest.a conftest.b 2>/dev/null && hard_links=no
AC_MSG_RESULT([$hard_links])
if test "$hard_links" = no; then
AC_MSG_WARN([`$CC' does not support `-c -o', so `make -j' may be unsafe])
need_locks=warn
fi
else
need_locks=no
fi
_LT_DECL([], [need_locks], [1], [Must we lock files when doing compilation?])
])# _LT_COMPILER_FILE_LOCKS
# _LT_CHECK_OBJDIR
# ----------------
m4_defun([_LT_CHECK_OBJDIR],
[AC_CACHE_CHECK([for objdir], [lt_cv_objdir],
[rm -f .libs 2>/dev/null
mkdir .libs 2>/dev/null
if test -d .libs; then
lt_cv_objdir=.libs
else
# MS-DOS does not allow filenames that begin with a dot.
lt_cv_objdir=_libs
fi
rmdir .libs 2>/dev/null])
objdir=$lt_cv_objdir
_LT_DECL([], [objdir], [0],
[The name of the directory that contains temporary libtool files])dnl
m4_pattern_allow([LT_OBJDIR])dnl
AC_DEFINE_UNQUOTED(LT_OBJDIR, "$lt_cv_objdir/",
[Define to the sub-directory in which libtool stores uninstalled libraries.])
])# _LT_CHECK_OBJDIR
# _LT_LINKER_HARDCODE_LIBPATH([TAGNAME])
# --------------------------------------
# Check hardcoding attributes.
m4_defun([_LT_LINKER_HARDCODE_LIBPATH],
[AC_MSG_CHECKING([how to hardcode library paths into programs])
_LT_TAGVAR(hardcode_action, $1)=
if test -n "$_LT_TAGVAR(hardcode_libdir_flag_spec, $1)" ||
test -n "$_LT_TAGVAR(runpath_var, $1)" ||
test "X$_LT_TAGVAR(hardcode_automatic, $1)" = "Xyes" ; then
# We can hardcode non-existent directories.
if test "$_LT_TAGVAR(hardcode_direct, $1)" != no &&
# If the only mechanism to avoid hardcoding is shlibpath_var, we
# have to relink, otherwise we might link with an installed library
# when we should be linking with a yet-to-be-installed one
## test "$_LT_TAGVAR(hardcode_shlibpath_var, $1)" != no &&
test "$_LT_TAGVAR(hardcode_minus_L, $1)" != no; then
# Linking always hardcodes the temporary library directory.
_LT_TAGVAR(hardcode_action, $1)=relink
else
# We can link without hardcoding, and we can hardcode nonexisting dirs.
_LT_TAGVAR(hardcode_action, $1)=immediate
fi
else
# We cannot hardcode anything, or else we can only hardcode existing
# directories.
_LT_TAGVAR(hardcode_action, $1)=unsupported
fi
AC_MSG_RESULT([$_LT_TAGVAR(hardcode_action, $1)])
if test "$_LT_TAGVAR(hardcode_action, $1)" = relink ||
test "$_LT_TAGVAR(inherit_rpath, $1)" = yes; then
# Fast installation is not supported
enable_fast_install=no
elif test "$shlibpath_overrides_runpath" = yes ||
test "$enable_shared" = no; then
# Fast installation is not necessary
enable_fast_install=needless
fi
_LT_TAGDECL([], [hardcode_action], [0],
[How to hardcode a shared library path into an executable])
])# _LT_LINKER_HARDCODE_LIBPATH
# _LT_CMD_STRIPLIB
# ----------------
m4_defun([_LT_CMD_STRIPLIB],
[m4_require([_LT_DECL_EGREP])
striplib=
old_striplib=
AC_MSG_CHECKING([whether stripping libraries is possible])
if test -n "$STRIP" && $STRIP -V 2>&1 | $GREP "GNU strip" >/dev/null; then
test -z "$old_striplib" && old_striplib="$STRIP --strip-debug"
test -z "$striplib" && striplib="$STRIP --strip-unneeded"
AC_MSG_RESULT([yes])
else
# FIXME - insert some real tests, host_os isn't really good enough
case $host_os in
darwin*)
if test -n "$STRIP" ; then
striplib="$STRIP -x"
old_striplib="$STRIP -S"
AC_MSG_RESULT([yes])
else
AC_MSG_RESULT([no])
fi
;;
*)
AC_MSG_RESULT([no])
;;
esac
fi
_LT_DECL([], [old_striplib], [1], [Commands to strip libraries])
_LT_DECL([], [striplib], [1])
])# _LT_CMD_STRIPLIB
# _LT_SYS_DYNAMIC_LINKER([TAG])
# -----------------------------
# PORTME Fill in your ld.so characteristics
m4_defun([_LT_SYS_DYNAMIC_LINKER],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
m4_require([_LT_DECL_EGREP])dnl
m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_DECL_OBJDUMP])dnl
m4_require([_LT_DECL_SED])dnl
m4_require([_LT_CHECK_SHELL_FEATURES])dnl
AC_MSG_CHECKING([dynamic linker characteristics])
m4_if([$1],
[], [
if test "$GCC" = yes; then
case $host_os in
darwin*) lt_awk_arg="/^libraries:/,/LR/" ;;
*) lt_awk_arg="/^libraries:/" ;;
esac
case $host_os in
mingw* | cegcc*) lt_sed_strip_eq="s,=\([[A-Za-z]]:\),\1,g" ;;
*) lt_sed_strip_eq="s,=/,/,g" ;;
esac
lt_search_path_spec=`$CC -print-search-dirs | awk $lt_awk_arg | $SED -e "s/^libraries://" -e $lt_sed_strip_eq`
case $lt_search_path_spec in
*\;*)
# if the path contains ";" then we assume it to be the separator
# otherwise default to the standard path separator (i.e. ":") - it is
# assumed that no part of a normal pathname contains ";" but that should
# okay in the real world where ";" in dirpaths is itself problematic.
lt_search_path_spec=`$ECHO "$lt_search_path_spec" | $SED 's/;/ /g'`
;;
*)
lt_search_path_spec=`$ECHO "$lt_search_path_spec" | $SED "s/$PATH_SEPARATOR/ /g"`
;;
esac
# Ok, now we have the path, separated by spaces, we can step through it
# and add multilib dir if necessary.
lt_tmp_lt_search_path_spec=
lt_multi_os_dir=`$CC $CPPFLAGS $CFLAGS $LDFLAGS -print-multi-os-directory 2>/dev/null`
for lt_sys_path in $lt_search_path_spec; do
if test -d "$lt_sys_path/$lt_multi_os_dir"; then
lt_tmp_lt_search_path_spec="$lt_tmp_lt_search_path_spec $lt_sys_path/$lt_multi_os_dir"
else
test -d "$lt_sys_path" && \
lt_tmp_lt_search_path_spec="$lt_tmp_lt_search_path_spec $lt_sys_path"
fi
done
lt_search_path_spec=`$ECHO "$lt_tmp_lt_search_path_spec" | awk '
BEGIN {RS=" "; FS="/|\n";} {
lt_foo="";
lt_count=0;
for (lt_i = NF; lt_i > 0; lt_i--) {
if ($lt_i != "" && $lt_i != ".") {
if ($lt_i == "..") {
lt_count++;
} else {
if (lt_count == 0) {
lt_foo="/" $lt_i lt_foo;
} else {
lt_count--;
}
}
}
}
if (lt_foo != "") { lt_freq[[lt_foo]]++; }
if (lt_freq[[lt_foo]] == 1) { print lt_foo; }
}'`
# AWK program above erroneously prepends '/' to C:/dos/paths
# for these hosts.
case $host_os in
mingw* | cegcc*) lt_search_path_spec=`$ECHO "$lt_search_path_spec" |\
$SED 's,/\([[A-Za-z]]:\),\1,g'` ;;
esac
sys_lib_search_path_spec=`$ECHO "$lt_search_path_spec" | $lt_NL2SP`
else
sys_lib_search_path_spec="/lib /usr/lib /usr/local/lib"
fi])
library_names_spec=
libname_spec='lib$name'
soname_spec=
shrext_cmds=".so"
postinstall_cmds=
postuninstall_cmds=
finish_cmds=
finish_eval=
shlibpath_var=
shlibpath_overrides_runpath=unknown
version_type=none
dynamic_linker="$host_os ld.so"
sys_lib_dlsearch_path_spec="/lib /usr/lib"
need_lib_prefix=unknown
hardcode_into_libs=no
# when you set need_version to no, make sure it does not cause -set_version
# flags to be left without arguments
need_version=unknown
case $host_os in
aix3*)
version_type=linux # correct to gnu/linux during the next big refactor
library_names_spec='${libname}${release}${shared_ext}$versuffix $libname.a'
shlibpath_var=LIBPATH
# AIX 3 has no versioning support, so we append a major version to the name.
soname_spec='${libname}${release}${shared_ext}$major'
;;
aix[[4-9]]*)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
hardcode_into_libs=yes
if test "$host_cpu" = ia64; then
# AIX 5 supports IA64
library_names_spec='${libname}${release}${shared_ext}$major ${libname}${release}${shared_ext}$versuffix $libname${shared_ext}'
shlibpath_var=LD_LIBRARY_PATH
else
# With GCC up to 2.95.x, collect2 would create an import file
# for dependence libraries. The import file would start with
# the line `#! .'. This would cause the generated library to
# depend on `.', always an invalid library. This was fixed in
# development snapshots of GCC prior to 3.0.
case $host_os in
aix4 | aix4.[[01]] | aix4.[[01]].*)
if { echo '#if __GNUC__ > 2 || (__GNUC__ == 2 && __GNUC_MINOR__ >= 97)'
echo ' yes '
echo '#endif'; } | ${CC} -E - | $GREP yes > /dev/null; then
:
else
can_build_shared=no
fi
;;
esac
# AIX (on Power*) has no versioning support, so currently we can not hardcode correct
# soname into executable. Probably we can add versioning support to
# collect2, so additional links can be useful in future.
if test "$aix_use_runtimelinking" = yes; then
# If using run time linking (on AIX 4.2 or later) use lib.so
# instead of lib.a to let people know that these are not
# typical AIX shared libraries.
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
else
# We preserve .a as extension for shared libraries through AIX4.2
# and later when we are not doing run time linking.
library_names_spec='${libname}${release}.a $libname.a'
soname_spec='${libname}${release}${shared_ext}$major'
fi
shlibpath_var=LIBPATH
fi
;;
amigaos*)
case $host_cpu in
powerpc)
# Since July 2007 AmigaOS4 officially supports .so libraries.
# When compiling the executable, add -use-dynld -Lsobjs: to the compileline.
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
;;
m68k)
library_names_spec='$libname.ixlibrary $libname.a'
# Create ${libname}_ixlibrary.a entries in /sys/libs.
finish_eval='for lib in `ls $libdir/*.ixlibrary 2>/dev/null`; do libname=`func_echo_all "$lib" | $SED '\''s%^.*/\([[^/]]*\)\.ixlibrary$%\1%'\''`; test $RM /sys/libs/${libname}_ixlibrary.a; $show "cd /sys/libs && $LN_S $lib ${libname}_ixlibrary.a"; cd /sys/libs && $LN_S $lib ${libname}_ixlibrary.a || exit 1; done'
;;
esac
;;
beos*)
library_names_spec='${libname}${shared_ext}'
dynamic_linker="$host_os ld.so"
shlibpath_var=LIBRARY_PATH
;;
bsdi[[45]]*)
version_type=linux # correct to gnu/linux during the next big refactor
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
finish_cmds='PATH="\$PATH:/sbin" ldconfig $libdir'
shlibpath_var=LD_LIBRARY_PATH
sys_lib_search_path_spec="/shlib /usr/lib /usr/X11/lib /usr/contrib/lib /lib /usr/local/lib"
sys_lib_dlsearch_path_spec="/shlib /usr/lib /usr/local/lib"
# the default ld.so.conf also contains /usr/contrib/lib and
# /usr/X11R6/lib (/usr/X11 is a link to /usr/X11R6), but let us allow
# libtool to hard-code these into programs
;;
cygwin* | mingw* | pw32* | cegcc*)
version_type=windows
shrext_cmds=".dll"
need_version=no
need_lib_prefix=no
case $GCC,$cc_basename in
yes,*)
# gcc
library_names_spec='$libname.dll.a'
# DLL is installed to $(libdir)/../bin by postinstall_cmds
postinstall_cmds='base_file=`basename \${file}`~
dlpath=`$SHELL 2>&1 -c '\''. $dir/'\''\${base_file}'\''i; echo \$dlname'\''`~
dldir=$destdir/`dirname \$dlpath`~
test -d \$dldir || mkdir -p \$dldir~
$install_prog $dir/$dlname \$dldir/$dlname~
chmod a+x \$dldir/$dlname~
if test -n '\''$stripme'\'' && test -n '\''$striplib'\''; then
eval '\''$striplib \$dldir/$dlname'\'' || exit \$?;
fi'
postuninstall_cmds='dldll=`$SHELL 2>&1 -c '\''. $file; echo \$dlname'\''`~
dlpath=$dir/\$dldll~
$RM \$dlpath'
shlibpath_overrides_runpath=yes
case $host_os in
cygwin*)
# Cygwin DLLs use 'cyg' prefix rather than 'lib'
soname_spec='`echo ${libname} | sed -e 's/^lib/cyg/'``echo ${release} | $SED -e 's/[[.]]/-/g'`${versuffix}${shared_ext}'
m4_if([$1], [],[
sys_lib_search_path_spec="$sys_lib_search_path_spec /usr/lib/w32api"])
;;
mingw* | cegcc*)
# MinGW DLLs use traditional 'lib' prefix
soname_spec='${libname}`echo ${release} | $SED -e 's/[[.]]/-/g'`${versuffix}${shared_ext}'
;;
pw32*)
# pw32 DLLs use 'pw' prefix rather than 'lib'
library_names_spec='`echo ${libname} | sed -e 's/^lib/pw/'``echo ${release} | $SED -e 's/[[.]]/-/g'`${versuffix}${shared_ext}'
;;
esac
dynamic_linker='Win32 ld.exe'
;;
*,cl*)
# Native MSVC
libname_spec='$name'
soname_spec='${libname}`echo ${release} | $SED -e 's/[[.]]/-/g'`${versuffix}${shared_ext}'
library_names_spec='${libname}.dll.lib'
case $build_os in
mingw*)
sys_lib_search_path_spec=
lt_save_ifs=$IFS
IFS=';'
for lt_path in $LIB
do
IFS=$lt_save_ifs
# Let DOS variable expansion print the short 8.3 style file name.
lt_path=`cd "$lt_path" 2>/dev/null && cmd //C "for %i in (".") do @echo %~si"`
sys_lib_search_path_spec="$sys_lib_search_path_spec $lt_path"
done
IFS=$lt_save_ifs
# Convert to MSYS style.
sys_lib_search_path_spec=`$ECHO "$sys_lib_search_path_spec" | sed -e 's|\\\\|/|g' -e 's| \\([[a-zA-Z]]\\):| /\\1|g' -e 's|^ ||'`
;;
cygwin*)
# Convert to unix form, then to dos form, then back to unix form
# but this time dos style (no spaces!) so that the unix form looks
# like /cygdrive/c/PROGRA~1:/cygdr...
sys_lib_search_path_spec=`cygpath --path --unix "$LIB"`
sys_lib_search_path_spec=`cygpath --path --dos "$sys_lib_search_path_spec" 2>/dev/null`
sys_lib_search_path_spec=`cygpath --path --unix "$sys_lib_search_path_spec" | $SED -e "s/$PATH_SEPARATOR/ /g"`
;;
*)
sys_lib_search_path_spec="$LIB"
if $ECHO "$sys_lib_search_path_spec" | [$GREP ';[c-zC-Z]:/' >/dev/null]; then
# It is most probably a Windows format PATH.
sys_lib_search_path_spec=`$ECHO "$sys_lib_search_path_spec" | $SED -e 's/;/ /g'`
else
sys_lib_search_path_spec=`$ECHO "$sys_lib_search_path_spec" | $SED -e "s/$PATH_SEPARATOR/ /g"`
fi
# FIXME: find the short name or the path components, as spaces are
# common. (e.g. "Program Files" -> "PROGRA~1")
;;
esac
# DLL is installed to $(libdir)/../bin by postinstall_cmds
postinstall_cmds='base_file=`basename \${file}`~
dlpath=`$SHELL 2>&1 -c '\''. $dir/'\''\${base_file}'\''i; echo \$dlname'\''`~
dldir=$destdir/`dirname \$dlpath`~
test -d \$dldir || mkdir -p \$dldir~
$install_prog $dir/$dlname \$dldir/$dlname'
postuninstall_cmds='dldll=`$SHELL 2>&1 -c '\''. $file; echo \$dlname'\''`~
dlpath=$dir/\$dldll~
$RM \$dlpath'
shlibpath_overrides_runpath=yes
dynamic_linker='Win32 link.exe'
;;
*)
# Assume MSVC wrapper
library_names_spec='${libname}`echo ${release} | $SED -e 's/[[.]]/-/g'`${versuffix}${shared_ext} $libname.lib'
dynamic_linker='Win32 ld.exe'
;;
esac
# FIXME: first we should search . and the directory the executable is in
shlibpath_var=PATH
;;
darwin* | rhapsody*)
dynamic_linker="$host_os dyld"
version_type=darwin
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${major}$shared_ext ${libname}$shared_ext'
soname_spec='${libname}${release}${major}$shared_ext'
shlibpath_overrides_runpath=yes
shlibpath_var=DYLD_LIBRARY_PATH
shrext_cmds='`test .$module = .yes && echo .so || echo .dylib`'
m4_if([$1], [],[
sys_lib_search_path_spec="$sys_lib_search_path_spec /usr/local/lib"])
sys_lib_dlsearch_path_spec='/usr/local/lib /lib /usr/lib'
;;
dgux*)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname$shared_ext'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
;;
freebsd* | dragonfly*)
# DragonFly does not have aout. When/if they implement a new
# versioning mechanism, adjust this.
if test -x /usr/bin/objformat; then
objformat=`/usr/bin/objformat`
else
case $host_os in
freebsd[[23]].*) objformat=aout ;;
*) objformat=elf ;;
esac
fi
version_type=freebsd-$objformat
case $version_type in
freebsd-elf*)
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext} $libname${shared_ext}'
need_version=no
need_lib_prefix=no
;;
freebsd-*)
library_names_spec='${libname}${release}${shared_ext}$versuffix $libname${shared_ext}$versuffix'
need_version=yes
;;
esac
shlibpath_var=LD_LIBRARY_PATH
case $host_os in
freebsd2.*)
shlibpath_overrides_runpath=yes
;;
freebsd3.[[01]]* | freebsdelf3.[[01]]*)
shlibpath_overrides_runpath=yes
hardcode_into_libs=yes
;;
freebsd3.[[2-9]]* | freebsdelf3.[[2-9]]* | \
freebsd4.[[0-5]] | freebsdelf4.[[0-5]] | freebsd4.1.1 | freebsdelf4.1.1)
shlibpath_overrides_runpath=no
hardcode_into_libs=yes
;;
*) # from 4.6 on, and DragonFly
shlibpath_overrides_runpath=yes
hardcode_into_libs=yes
;;
esac
;;
gnu*)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}${major} ${libname}${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=no
hardcode_into_libs=yes
;;
haiku*)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
dynamic_linker="$host_os runtime_loader"
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}${major} ${libname}${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LIBRARY_PATH
shlibpath_overrides_runpath=yes
sys_lib_dlsearch_path_spec='/boot/home/config/lib /boot/common/lib /boot/system/lib'
hardcode_into_libs=yes
;;
hpux9* | hpux10* | hpux11*)
# Give a soname corresponding to the major version so that dld.sl refuses to
# link against other versions.
version_type=sunos
need_lib_prefix=no
need_version=no
case $host_cpu in
ia64*)
shrext_cmds='.so'
hardcode_into_libs=yes
dynamic_linker="$host_os dld.so"
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=yes # Unless +noenvvar is specified.
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
if test "X$HPUX_IA64_MODE" = X32; then
sys_lib_search_path_spec="/usr/lib/hpux32 /usr/local/lib/hpux32 /usr/local/lib"
else
sys_lib_search_path_spec="/usr/lib/hpux64 /usr/local/lib/hpux64"
fi
sys_lib_dlsearch_path_spec=$sys_lib_search_path_spec
;;
hppa*64*)
shrext_cmds='.sl'
hardcode_into_libs=yes
dynamic_linker="$host_os dld.sl"
shlibpath_var=LD_LIBRARY_PATH # How should we handle SHLIB_PATH
shlibpath_overrides_runpath=yes # Unless +noenvvar is specified.
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
sys_lib_search_path_spec="/usr/lib/pa20_64 /usr/ccs/lib/pa20_64"
sys_lib_dlsearch_path_spec=$sys_lib_search_path_spec
;;
*)
shrext_cmds='.sl'
dynamic_linker="$host_os dld.sl"
shlibpath_var=SHLIB_PATH
shlibpath_overrides_runpath=no # +s is required to enable SHLIB_PATH
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
;;
esac
# HP-UX runs *really* slowly unless shared libraries are mode 555, ...
postinstall_cmds='chmod 555 $lib'
# or fails outright, so override atomically:
install_override_mode=555
;;
interix[[3-9]]*)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major ${libname}${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
dynamic_linker='Interix 3.x ld.so.1 (PE, like ELF)'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=no
hardcode_into_libs=yes
;;
irix5* | irix6* | nonstopux*)
case $host_os in
nonstopux*) version_type=nonstopux ;;
*)
if test "$lt_cv_prog_gnu_ld" = yes; then
version_type=linux # correct to gnu/linux during the next big refactor
else
version_type=irix
fi ;;
esac
need_lib_prefix=no
need_version=no
soname_spec='${libname}${release}${shared_ext}$major'
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major ${libname}${release}${shared_ext} $libname${shared_ext}'
case $host_os in
irix5* | nonstopux*)
libsuff= shlibsuff=
;;
*)
case $LD in # libtool.m4 will add one of these switches to LD
*-32|*"-32 "|*-melf32bsmip|*"-melf32bsmip ")
libsuff= shlibsuff= libmagic=32-bit;;
*-n32|*"-n32 "|*-melf32bmipn32|*"-melf32bmipn32 ")
libsuff=32 shlibsuff=N32 libmagic=N32;;
*-64|*"-64 "|*-melf64bmip|*"-melf64bmip ")
libsuff=64 shlibsuff=64 libmagic=64-bit;;
*) libsuff= shlibsuff= libmagic=never-match;;
esac
;;
esac
shlibpath_var=LD_LIBRARY${shlibsuff}_PATH
shlibpath_overrides_runpath=no
sys_lib_search_path_spec="/usr/lib${libsuff} /lib${libsuff} /usr/local/lib${libsuff}"
sys_lib_dlsearch_path_spec="/usr/lib${libsuff} /lib${libsuff}"
hardcode_into_libs=yes
;;
# No shared lib support for Linux oldld, aout, or coff.
linux*oldld* | linux*aout* | linux*coff*)
dynamic_linker=no
;;
# This must be glibc/ELF.
linux* | k*bsd*-gnu | kopensolaris*-gnu)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
finish_cmds='PATH="\$PATH:/sbin" ldconfig -n $libdir'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=no
# Some binutils ld are patched to set DT_RUNPATH
AC_CACHE_VAL([lt_cv_shlibpath_overrides_runpath],
[lt_cv_shlibpath_overrides_runpath=no
save_LDFLAGS=$LDFLAGS
save_libdir=$libdir
eval "libdir=/foo; wl=\"$_LT_TAGVAR(lt_prog_compiler_wl, $1)\"; \
LDFLAGS=\"\$LDFLAGS $_LT_TAGVAR(hardcode_libdir_flag_spec, $1)\""
AC_LINK_IFELSE([AC_LANG_PROGRAM([],[])],
[AS_IF([ ($OBJDUMP -p conftest$ac_exeext) 2>/dev/null | grep "RUNPATH.*$libdir" >/dev/null],
[lt_cv_shlibpath_overrides_runpath=yes])])
LDFLAGS=$save_LDFLAGS
libdir=$save_libdir
])
shlibpath_overrides_runpath=$lt_cv_shlibpath_overrides_runpath
# This implies no fast_install, which is unacceptable.
# Some rework will be needed to allow for fast_install
# before this can be enabled.
hardcode_into_libs=yes
# Add ABI-specific directories to the system library path.
sys_lib_dlsearch_path_spec="/lib64 /usr/lib64 /lib /usr/lib"
# Append ld.so.conf contents to the search path
if test -f /etc/ld.so.conf; then
lt_ld_extra=`awk '/^include / { system(sprintf("cd /etc; cat %s 2>/dev/null", \[$]2)); skip = 1; } { if (!skip) print \[$]0; skip = 0; }' < /etc/ld.so.conf | $SED -e 's/#.*//;/^[ ]*hwcap[ ]/d;s/[:, ]/ /g;s/=[^=]*$//;s/=[^= ]* / /g;s/"//g;/^$/d' | tr '\n' ' '`
sys_lib_dlsearch_path_spec="$sys_lib_dlsearch_path_spec $lt_ld_extra"
fi
# We used to test for /lib/ld.so.1 and disable shared libraries on
# powerpc, because MkLinux only supported shared libraries with the
# GNU dynamic linker. Since this was broken with cross compilers,
# most powerpc-linux boxes support dynamic linking these days and
# people can always --disable-shared, the test was removed, and we
# assume the GNU/Linux dynamic linker is in use.
dynamic_linker='GNU/Linux ld.so'
;;
netbsd*)
version_type=sunos
need_lib_prefix=no
need_version=no
if echo __ELF__ | $CC -E - | $GREP __ELF__ >/dev/null; then
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${shared_ext}$versuffix'
finish_cmds='PATH="\$PATH:/sbin" ldconfig -m $libdir'
dynamic_linker='NetBSD (a.out) ld.so'
else
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major ${libname}${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
dynamic_linker='NetBSD ld.elf_so'
fi
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=yes
hardcode_into_libs=yes
;;
newsos6)
version_type=linux # correct to gnu/linux during the next big refactor
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=yes
;;
*nto* | *qnx*)
version_type=qnx
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=no
hardcode_into_libs=yes
dynamic_linker='ldqnx.so'
;;
openbsd*)
version_type=sunos
sys_lib_dlsearch_path_spec="/usr/lib"
need_lib_prefix=no
# Some older versions of OpenBSD (3.3 at least) *do* need versioned libs.
case $host_os in
openbsd3.3 | openbsd3.3.*) need_version=yes ;;
*) need_version=no ;;
esac
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${shared_ext}$versuffix'
finish_cmds='PATH="\$PATH:/sbin" ldconfig -m $libdir'
shlibpath_var=LD_LIBRARY_PATH
if test -z "`echo __ELF__ | $CC -E - | $GREP __ELF__`" || test "$host_os-$host_cpu" = "openbsd2.8-powerpc"; then
case $host_os in
openbsd2.[[89]] | openbsd2.[[89]].*)
shlibpath_overrides_runpath=no
;;
*)
shlibpath_overrides_runpath=yes
;;
esac
else
shlibpath_overrides_runpath=yes
fi
;;
os2*)
libname_spec='$name'
shrext_cmds=".dll"
need_lib_prefix=no
library_names_spec='$libname${shared_ext} $libname.a'
dynamic_linker='OS/2 ld.exe'
shlibpath_var=LIBPATH
;;
osf3* | osf4* | osf5*)
version_type=osf
need_lib_prefix=no
need_version=no
soname_spec='${libname}${release}${shared_ext}$major'
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
shlibpath_var=LD_LIBRARY_PATH
sys_lib_search_path_spec="/usr/shlib /usr/ccs/lib /usr/lib/cmplrs/cc /usr/lib /usr/local/lib /var/shlib"
sys_lib_dlsearch_path_spec="$sys_lib_search_path_spec"
;;
rdos*)
dynamic_linker=no
;;
solaris*)
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=yes
hardcode_into_libs=yes
# ldd complains unless libraries are executable
postinstall_cmds='chmod +x $lib'
;;
sunos4*)
version_type=sunos
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${shared_ext}$versuffix'
finish_cmds='PATH="\$PATH:/usr/etc" ldconfig $libdir'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=yes
if test "$with_gnu_ld" = yes; then
need_lib_prefix=no
fi
need_version=yes
;;
sysv4 | sysv4.3*)
version_type=linux # correct to gnu/linux during the next big refactor
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
case $host_vendor in
sni)
shlibpath_overrides_runpath=no
need_lib_prefix=no
runpath_var=LD_RUN_PATH
;;
siemens)
need_lib_prefix=no
;;
motorola)
need_lib_prefix=no
need_version=no
shlibpath_overrides_runpath=no
sys_lib_search_path_spec='/lib /usr/lib /usr/ccs/lib'
;;
esac
;;
sysv4*MP*)
if test -d /usr/nec ;then
version_type=linux # correct to gnu/linux during the next big refactor
library_names_spec='$libname${shared_ext}.$versuffix $libname${shared_ext}.$major $libname${shared_ext}'
soname_spec='$libname${shared_ext}.$major'
shlibpath_var=LD_LIBRARY_PATH
fi
;;
sysv5* | sco3.2v5* | sco5v6* | unixware* | OpenUNIX* | sysv4*uw2*)
version_type=freebsd-elf
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext} $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=yes
hardcode_into_libs=yes
if test "$with_gnu_ld" = yes; then
sys_lib_search_path_spec='/usr/local/lib /usr/gnu/lib /usr/ccs/lib /usr/lib /lib'
else
sys_lib_search_path_spec='/usr/ccs/lib /usr/lib'
case $host_os in
sco3.2v5*)
sys_lib_search_path_spec="$sys_lib_search_path_spec /lib"
;;
esac
fi
sys_lib_dlsearch_path_spec='/usr/lib'
;;
tpf*)
# TPF is a cross-target only. Preferred cross-host = GNU/Linux.
version_type=linux # correct to gnu/linux during the next big refactor
need_lib_prefix=no
need_version=no
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
shlibpath_var=LD_LIBRARY_PATH
shlibpath_overrides_runpath=no
hardcode_into_libs=yes
;;
uts4*)
version_type=linux # correct to gnu/linux during the next big refactor
library_names_spec='${libname}${release}${shared_ext}$versuffix ${libname}${release}${shared_ext}$major $libname${shared_ext}'
soname_spec='${libname}${release}${shared_ext}$major'
shlibpath_var=LD_LIBRARY_PATH
;;
*)
dynamic_linker=no
;;
esac
AC_MSG_RESULT([$dynamic_linker])
test "$dynamic_linker" = no && can_build_shared=no
variables_saved_for_relink="PATH $shlibpath_var $runpath_var"
if test "$GCC" = yes; then
variables_saved_for_relink="$variables_saved_for_relink GCC_EXEC_PREFIX COMPILER_PATH LIBRARY_PATH"
fi
if test "${lt_cv_sys_lib_search_path_spec+set}" = set; then
sys_lib_search_path_spec="$lt_cv_sys_lib_search_path_spec"
fi
if test "${lt_cv_sys_lib_dlsearch_path_spec+set}" = set; then
sys_lib_dlsearch_path_spec="$lt_cv_sys_lib_dlsearch_path_spec"
fi
_LT_DECL([], [variables_saved_for_relink], [1],
[Variables whose values should be saved in libtool wrapper scripts and
restored at link time])
_LT_DECL([], [need_lib_prefix], [0],
[Do we need the "lib" prefix for modules?])
_LT_DECL([], [need_version], [0], [Do we need a version for libraries?])
_LT_DECL([], [version_type], [0], [Library versioning type])
_LT_DECL([], [runpath_var], [0], [Shared library runtime path variable])
_LT_DECL([], [shlibpath_var], [0],[Shared library path variable])
_LT_DECL([], [shlibpath_overrides_runpath], [0],
[Is shlibpath searched before the hard-coded library search path?])
_LT_DECL([], [libname_spec], [1], [Format of library name prefix])
_LT_DECL([], [library_names_spec], [1],
[[List of archive names. First name is the real one, the rest are links.
The last name is the one that the linker finds with -lNAME]])
_LT_DECL([], [soname_spec], [1],
[[The coded name of the library, if different from the real name]])
_LT_DECL([], [install_override_mode], [1],
[Permission mode override for installation of shared libraries])
_LT_DECL([], [postinstall_cmds], [2],
[Command to use after installation of a shared archive])
_LT_DECL([], [postuninstall_cmds], [2],
[Command to use after uninstallation of a shared archive])
_LT_DECL([], [finish_cmds], [2],
[Commands used to finish a libtool library installation in a directory])
_LT_DECL([], [finish_eval], [1],
[[As "finish_cmds", except a single script fragment to be evaled but
not shown]])
_LT_DECL([], [hardcode_into_libs], [0],
[Whether we should hardcode library paths into libraries])
_LT_DECL([], [sys_lib_search_path_spec], [2],
[Compile-time system search path for libraries])
_LT_DECL([], [sys_lib_dlsearch_path_spec], [2],
[Run-time system search path for libraries])
])# _LT_SYS_DYNAMIC_LINKER
# _LT_PATH_TOOL_PREFIX(TOOL)
# --------------------------
# find a file program which can recognize shared library
AC_DEFUN([_LT_PATH_TOOL_PREFIX],
[m4_require([_LT_DECL_EGREP])dnl
AC_MSG_CHECKING([for $1])
AC_CACHE_VAL(lt_cv_path_MAGIC_CMD,
[case $MAGIC_CMD in
[[\\/*] | ?:[\\/]*])
lt_cv_path_MAGIC_CMD="$MAGIC_CMD" # Let the user override the test with a path.
;;
*)
lt_save_MAGIC_CMD="$MAGIC_CMD"
lt_save_ifs="$IFS"; IFS=$PATH_SEPARATOR
dnl $ac_dummy forces splitting on constant user-supplied paths.
dnl POSIX.2 word splitting is done only on the output of word expansions,
dnl not every word. This closes a longstanding sh security hole.
ac_dummy="m4_if([$2], , $PATH, [$2])"
for ac_dir in $ac_dummy; do
IFS="$lt_save_ifs"
test -z "$ac_dir" && ac_dir=.
if test -f $ac_dir/$1; then
lt_cv_path_MAGIC_CMD="$ac_dir/$1"
if test -n "$file_magic_test_file"; then
case $deplibs_check_method in
"file_magic "*)
file_magic_regex=`expr "$deplibs_check_method" : "file_magic \(.*\)"`
MAGIC_CMD="$lt_cv_path_MAGIC_CMD"
if eval $file_magic_cmd \$file_magic_test_file 2> /dev/null |
$EGREP "$file_magic_regex" > /dev/null; then
:
else
cat <<_LT_EOF 1>&2
*** Warning: the command libtool uses to detect shared libraries,
*** $file_magic_cmd, produces output that libtool cannot recognize.
*** The result is that libtool may fail to recognize shared libraries
*** as such. This will affect the creation of libtool libraries that
*** depend on shared libraries, but programs linked with such libtool
*** libraries will work regardless of this problem. Nevertheless, you
*** may want to report the problem to your system manager and/or to
*** bug-libtool@gnu.org
_LT_EOF
fi ;;
esac
fi
break
fi
done
IFS="$lt_save_ifs"
MAGIC_CMD="$lt_save_MAGIC_CMD"
;;
esac])
MAGIC_CMD="$lt_cv_path_MAGIC_CMD"
if test -n "$MAGIC_CMD"; then
AC_MSG_RESULT($MAGIC_CMD)
else
AC_MSG_RESULT(no)
fi
_LT_DECL([], [MAGIC_CMD], [0],
[Used to examine libraries when file_magic_cmd begins with "file"])dnl
])# _LT_PATH_TOOL_PREFIX
# Old name:
AU_ALIAS([AC_PATH_TOOL_PREFIX], [_LT_PATH_TOOL_PREFIX])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_PATH_TOOL_PREFIX], [])
# _LT_PATH_MAGIC
# --------------
# find a file program which can recognize a shared library
m4_defun([_LT_PATH_MAGIC],
[_LT_PATH_TOOL_PREFIX(${ac_tool_prefix}file, /usr/bin$PATH_SEPARATOR$PATH)
if test -z "$lt_cv_path_MAGIC_CMD"; then
if test -n "$ac_tool_prefix"; then
_LT_PATH_TOOL_PREFIX(file, /usr/bin$PATH_SEPARATOR$PATH)
else
MAGIC_CMD=:
fi
fi
])# _LT_PATH_MAGIC
# LT_PATH_LD
# ----------
# find the pathname to the GNU or non-GNU linker
AC_DEFUN([LT_PATH_LD],
[AC_REQUIRE([AC_PROG_CC])dnl
AC_REQUIRE([AC_CANONICAL_HOST])dnl
AC_REQUIRE([AC_CANONICAL_BUILD])dnl
m4_require([_LT_DECL_SED])dnl
m4_require([_LT_DECL_EGREP])dnl
m4_require([_LT_PROG_ECHO_BACKSLASH])dnl
AC_ARG_WITH([gnu-ld],
[AS_HELP_STRING([--with-gnu-ld],
[assume the C compiler uses GNU ld @<:@default=no@:>@])],
[test "$withval" = no || with_gnu_ld=yes],
[with_gnu_ld=no])dnl
ac_prog=ld
if test "$GCC" = yes; then
# Check if gcc -print-prog-name=ld gives a path.
AC_MSG_CHECKING([for ld used by $CC])
case $host in
*-*-mingw*)
# gcc leaves a trailing carriage return which upsets mingw
ac_prog=`($CC -print-prog-name=ld) 2>&5 | tr -d '\015'` ;;
*)
ac_prog=`($CC -print-prog-name=ld) 2>&5` ;;
esac
case $ac_prog in
# Accept absolute paths.
[[\\/]]* | ?:[[\\/]]*)
re_direlt='/[[^/]][[^/]]*/\.\./'
# Canonicalize the pathname of ld
ac_prog=`$ECHO "$ac_prog"| $SED 's%\\\\%/%g'`
while $ECHO "$ac_prog" | $GREP "$re_direlt" > /dev/null 2>&1; do
ac_prog=`$ECHO $ac_prog| $SED "s%$re_direlt%/%"`
done
test -z "$LD" && LD="$ac_prog"
;;
"")
# If it fails, then pretend we aren't using GCC.
ac_prog=ld
;;
*)
# If it is relative, then search for the first ld in PATH.
with_gnu_ld=unknown
;;
esac
elif test "$with_gnu_ld" = yes; then
AC_MSG_CHECKING([for GNU ld])
else
AC_MSG_CHECKING([for non-GNU ld])
fi
AC_CACHE_VAL(lt_cv_path_LD,
[if test -z "$LD"; then
lt_save_ifs="$IFS"; IFS=$PATH_SEPARATOR
for ac_dir in $PATH; do
IFS="$lt_save_ifs"
test -z "$ac_dir" && ac_dir=.
if test -f "$ac_dir/$ac_prog" || test -f "$ac_dir/$ac_prog$ac_exeext"; then
lt_cv_path_LD="$ac_dir/$ac_prog"
# Check to see if the program is GNU ld. I'd rather use --version,
# but apparently some variants of GNU ld only accept -v.
# Break only if it was the GNU/non-GNU ld that we prefer.
case `"$lt_cv_path_LD" -v 2>&1 &1 /dev/null 2>&1; then
lt_cv_deplibs_check_method='file_magic ^x86 archive import|^x86 DLL'
lt_cv_file_magic_cmd='func_win32_libid'
else
# Keep this pattern in sync with the one in func_win32_libid.
lt_cv_deplibs_check_method='file_magic file format (pei*-i386(.*architecture: i386)?|pe-arm-wince|pe-x86-64)'
lt_cv_file_magic_cmd='$OBJDUMP -f'
fi
;;
cegcc*)
# use the weaker test based on 'objdump'. See mingw*.
lt_cv_deplibs_check_method='file_magic file format pe-arm-.*little(.*architecture: arm)?'
lt_cv_file_magic_cmd='$OBJDUMP -f'
;;
darwin* | rhapsody*)
lt_cv_deplibs_check_method=pass_all
;;
freebsd* | dragonfly*)
if echo __ELF__ | $CC -E - | $GREP __ELF__ > /dev/null; then
case $host_cpu in
i*86 )
# Not sure whether the presence of OpenBSD here was a mistake.
# Let's accept both of them until this is cleared up.
lt_cv_deplibs_check_method='file_magic (FreeBSD|OpenBSD|DragonFly)/i[[3-9]]86 (compact )?demand paged shared library'
lt_cv_file_magic_cmd=/usr/bin/file
lt_cv_file_magic_test_file=`echo /usr/lib/libc.so.*`
;;
esac
else
lt_cv_deplibs_check_method=pass_all
fi
;;
gnu*)
lt_cv_deplibs_check_method=pass_all
;;
haiku*)
lt_cv_deplibs_check_method=pass_all
;;
hpux10.20* | hpux11*)
lt_cv_file_magic_cmd=/usr/bin/file
case $host_cpu in
ia64*)
lt_cv_deplibs_check_method='file_magic (s[[0-9]][[0-9]][[0-9]]|ELF-[[0-9]][[0-9]]) shared object file - IA64'
lt_cv_file_magic_test_file=/usr/lib/hpux32/libc.so
;;
hppa*64*)
[lt_cv_deplibs_check_method='file_magic (s[0-9][0-9][0-9]|ELF[ -][0-9][0-9])(-bit)?( [LM]SB)? shared object( file)?[, -]* PA-RISC [0-9]\.[0-9]']
lt_cv_file_magic_test_file=/usr/lib/pa20_64/libc.sl
;;
*)
lt_cv_deplibs_check_method='file_magic (s[[0-9]][[0-9]][[0-9]]|PA-RISC[[0-9]]\.[[0-9]]) shared library'
lt_cv_file_magic_test_file=/usr/lib/libc.sl
;;
esac
;;
interix[[3-9]]*)
# PIC code is broken on Interix 3.x, that's why |\.a not |_pic\.a here
lt_cv_deplibs_check_method='match_pattern /lib[[^/]]+(\.so|\.a)$'
;;
irix5* | irix6* | nonstopux*)
case $LD in
*-32|*"-32 ") libmagic=32-bit;;
*-n32|*"-n32 ") libmagic=N32;;
*-64|*"-64 ") libmagic=64-bit;;
*) libmagic=never-match;;
esac
lt_cv_deplibs_check_method=pass_all
;;
# This must be glibc/ELF.
linux* | k*bsd*-gnu | kopensolaris*-gnu)
lt_cv_deplibs_check_method=pass_all
;;
netbsd*)
if echo __ELF__ | $CC -E - | $GREP __ELF__ > /dev/null; then
lt_cv_deplibs_check_method='match_pattern /lib[[^/]]+(\.so\.[[0-9]]+\.[[0-9]]+|_pic\.a)$'
else
lt_cv_deplibs_check_method='match_pattern /lib[[^/]]+(\.so|_pic\.a)$'
fi
;;
newos6*)
lt_cv_deplibs_check_method='file_magic ELF [[0-9]][[0-9]]*-bit [[ML]]SB (executable|dynamic lib)'
lt_cv_file_magic_cmd=/usr/bin/file
lt_cv_file_magic_test_file=/usr/lib/libnls.so
;;
*nto* | *qnx*)
lt_cv_deplibs_check_method=pass_all
;;
openbsd*)
if test -z "`echo __ELF__ | $CC -E - | $GREP __ELF__`" || test "$host_os-$host_cpu" = "openbsd2.8-powerpc"; then
lt_cv_deplibs_check_method='match_pattern /lib[[^/]]+(\.so\.[[0-9]]+\.[[0-9]]+|\.so|_pic\.a)$'
else
lt_cv_deplibs_check_method='match_pattern /lib[[^/]]+(\.so\.[[0-9]]+\.[[0-9]]+|_pic\.a)$'
fi
;;
osf3* | osf4* | osf5*)
lt_cv_deplibs_check_method=pass_all
;;
rdos*)
lt_cv_deplibs_check_method=pass_all
;;
solaris*)
lt_cv_deplibs_check_method=pass_all
;;
sysv5* | sco3.2v5* | sco5v6* | unixware* | OpenUNIX* | sysv4*uw2*)
lt_cv_deplibs_check_method=pass_all
;;
sysv4 | sysv4.3*)
case $host_vendor in
motorola)
lt_cv_deplibs_check_method='file_magic ELF [[0-9]][[0-9]]*-bit [[ML]]SB (shared object|dynamic lib) M[[0-9]][[0-9]]* Version [[0-9]]'
lt_cv_file_magic_test_file=`echo /usr/lib/libc.so*`
;;
ncr)
lt_cv_deplibs_check_method=pass_all
;;
sequent)
lt_cv_file_magic_cmd='/bin/file'
lt_cv_deplibs_check_method='file_magic ELF [[0-9]][[0-9]]*-bit [[LM]]SB (shared object|dynamic lib )'
;;
sni)
lt_cv_file_magic_cmd='/bin/file'
lt_cv_deplibs_check_method="file_magic ELF [[0-9]][[0-9]]*-bit [[LM]]SB dynamic lib"
lt_cv_file_magic_test_file=/lib/libc.so
;;
siemens)
lt_cv_deplibs_check_method=pass_all
;;
pc)
lt_cv_deplibs_check_method=pass_all
;;
esac
;;
tpf*)
lt_cv_deplibs_check_method=pass_all
;;
esac
])
file_magic_glob=
want_nocaseglob=no
if test "$build" = "$host"; then
case $host_os in
mingw* | pw32*)
if ( shopt | grep nocaseglob ) >/dev/null 2>&1; then
want_nocaseglob=yes
else
file_magic_glob=`echo aAbBcCdDeEfFgGhHiIjJkKlLmMnNoOpPqQrRsStTuUvVwWxXyYzZ | $SED -e "s/\(..\)/s\/[[\1]]\/[[\1]]\/g;/g"`
fi
;;
esac
fi
file_magic_cmd=$lt_cv_file_magic_cmd
deplibs_check_method=$lt_cv_deplibs_check_method
test -z "$deplibs_check_method" && deplibs_check_method=unknown
_LT_DECL([], [deplibs_check_method], [1],
[Method to check whether dependent libraries are shared objects])
_LT_DECL([], [file_magic_cmd], [1],
[Command to use when deplibs_check_method = "file_magic"])
_LT_DECL([], [file_magic_glob], [1],
[How to find potential files when deplibs_check_method = "file_magic"])
_LT_DECL([], [want_nocaseglob], [1],
[Find potential files using nocaseglob when deplibs_check_method = "file_magic"])
])# _LT_CHECK_MAGIC_METHOD
# LT_PATH_NM
# ----------
# find the pathname to a BSD- or MS-compatible name lister
AC_DEFUN([LT_PATH_NM],
[AC_REQUIRE([AC_PROG_CC])dnl
AC_CACHE_CHECK([for BSD- or MS-compatible name lister (nm)], lt_cv_path_NM,
[if test -n "$NM"; then
# Let the user override the test.
lt_cv_path_NM="$NM"
else
lt_nm_to_check="${ac_tool_prefix}nm"
if test -n "$ac_tool_prefix" && test "$build" = "$host"; then
lt_nm_to_check="$lt_nm_to_check nm"
fi
for lt_tmp_nm in $lt_nm_to_check; do
lt_save_ifs="$IFS"; IFS=$PATH_SEPARATOR
for ac_dir in $PATH /usr/ccs/bin/elf /usr/ccs/bin /usr/ucb /bin; do
IFS="$lt_save_ifs"
test -z "$ac_dir" && ac_dir=.
tmp_nm="$ac_dir/$lt_tmp_nm"
if test -f "$tmp_nm" || test -f "$tmp_nm$ac_exeext" ; then
# Check to see if the nm accepts a BSD-compat flag.
# Adding the `sed 1q' prevents false positives on HP-UX, which says:
# nm: unknown option "B" ignored
# Tru64's nm complains that /dev/null is an invalid object file
case `"$tmp_nm" -B /dev/null 2>&1 | sed '1q'` in
*/dev/null* | *'Invalid file or object type'*)
lt_cv_path_NM="$tmp_nm -B"
break
;;
*)
case `"$tmp_nm" -p /dev/null 2>&1 | sed '1q'` in
*/dev/null*)
lt_cv_path_NM="$tmp_nm -p"
break
;;
*)
lt_cv_path_NM=${lt_cv_path_NM="$tmp_nm"} # keep the first match, but
continue # so that we can try to find one that supports BSD flags
;;
esac
;;
esac
fi
done
IFS="$lt_save_ifs"
done
: ${lt_cv_path_NM=no}
fi])
if test "$lt_cv_path_NM" != "no"; then
NM="$lt_cv_path_NM"
else
# Didn't find any BSD compatible name lister, look for dumpbin.
if test -n "$DUMPBIN"; then :
# Let the user override the test.
else
AC_CHECK_TOOLS(DUMPBIN, [dumpbin "link -dump"], :)
case `$DUMPBIN -symbols /dev/null 2>&1 | sed '1q'` in
*COFF*)
DUMPBIN="$DUMPBIN -symbols"
;;
*)
DUMPBIN=:
;;
esac
fi
AC_SUBST([DUMPBIN])
if test "$DUMPBIN" != ":"; then
NM="$DUMPBIN"
fi
fi
test -z "$NM" && NM=nm
AC_SUBST([NM])
_LT_DECL([], [NM], [1], [A BSD- or MS-compatible name lister])dnl
AC_CACHE_CHECK([the name lister ($NM) interface], [lt_cv_nm_interface],
[lt_cv_nm_interface="BSD nm"
echo "int some_variable = 0;" > conftest.$ac_ext
(eval echo "\"\$as_me:$LINENO: $ac_compile\"" >&AS_MESSAGE_LOG_FD)
(eval "$ac_compile" 2>conftest.err)
cat conftest.err >&AS_MESSAGE_LOG_FD
(eval echo "\"\$as_me:$LINENO: $NM \\\"conftest.$ac_objext\\\"\"" >&AS_MESSAGE_LOG_FD)
(eval "$NM \"conftest.$ac_objext\"" 2>conftest.err > conftest.out)
cat conftest.err >&AS_MESSAGE_LOG_FD
(eval echo "\"\$as_me:$LINENO: output\"" >&AS_MESSAGE_LOG_FD)
cat conftest.out >&AS_MESSAGE_LOG_FD
if $GREP 'External.*some_variable' conftest.out > /dev/null; then
lt_cv_nm_interface="MS dumpbin"
fi
rm -f conftest*])
])# LT_PATH_NM
# Old names:
AU_ALIAS([AM_PROG_NM], [LT_PATH_NM])
AU_ALIAS([AC_PROG_NM], [LT_PATH_NM])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AM_PROG_NM], [])
dnl AC_DEFUN([AC_PROG_NM], [])
# _LT_CHECK_SHAREDLIB_FROM_LINKLIB
# --------------------------------
# how to determine the name of the shared library
# associated with a specific link library.
# -- PORTME fill in with the dynamic library characteristics
m4_defun([_LT_CHECK_SHAREDLIB_FROM_LINKLIB],
[m4_require([_LT_DECL_EGREP])
m4_require([_LT_DECL_OBJDUMP])
m4_require([_LT_DECL_DLLTOOL])
AC_CACHE_CHECK([how to associate runtime and link libraries],
lt_cv_sharedlib_from_linklib_cmd,
[lt_cv_sharedlib_from_linklib_cmd='unknown'
case $host_os in
cygwin* | mingw* | pw32* | cegcc*)
# two different shell functions defined in ltmain.sh
# decide which to use based on capabilities of $DLLTOOL
case `$DLLTOOL --help 2>&1` in
*--identify-strict*)
lt_cv_sharedlib_from_linklib_cmd=func_cygming_dll_for_implib
;;
*)
lt_cv_sharedlib_from_linklib_cmd=func_cygming_dll_for_implib_fallback
;;
esac
;;
*)
# fallback: assume linklib IS sharedlib
lt_cv_sharedlib_from_linklib_cmd="$ECHO"
;;
esac
])
sharedlib_from_linklib_cmd=$lt_cv_sharedlib_from_linklib_cmd
test -z "$sharedlib_from_linklib_cmd" && sharedlib_from_linklib_cmd=$ECHO
_LT_DECL([], [sharedlib_from_linklib_cmd], [1],
[Command to associate shared and link libraries])
])# _LT_CHECK_SHAREDLIB_FROM_LINKLIB
# _LT_PATH_MANIFEST_TOOL
# ----------------------
# locate the manifest tool
m4_defun([_LT_PATH_MANIFEST_TOOL],
[AC_CHECK_TOOL(MANIFEST_TOOL, mt, :)
test -z "$MANIFEST_TOOL" && MANIFEST_TOOL=mt
AC_CACHE_CHECK([if $MANIFEST_TOOL is a manifest tool], [lt_cv_path_mainfest_tool],
[lt_cv_path_mainfest_tool=no
echo "$as_me:$LINENO: $MANIFEST_TOOL '-?'" >&AS_MESSAGE_LOG_FD
$MANIFEST_TOOL '-?' 2>conftest.err > conftest.out
cat conftest.err >&AS_MESSAGE_LOG_FD
if $GREP 'Manifest Tool' conftest.out > /dev/null; then
lt_cv_path_mainfest_tool=yes
fi
rm -f conftest*])
if test "x$lt_cv_path_mainfest_tool" != xyes; then
MANIFEST_TOOL=:
fi
_LT_DECL([], [MANIFEST_TOOL], [1], [Manifest tool])dnl
])# _LT_PATH_MANIFEST_TOOL
# LT_LIB_M
# --------
# check for math library
AC_DEFUN([LT_LIB_M],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
LIBM=
case $host in
*-*-beos* | *-*-cegcc* | *-*-cygwin* | *-*-haiku* | *-*-pw32* | *-*-darwin*)
# These system don't have libm, or don't need it
;;
*-ncr-sysv4.3*)
AC_CHECK_LIB(mw, _mwvalidcheckl, LIBM="-lmw")
AC_CHECK_LIB(m, cos, LIBM="$LIBM -lm")
;;
*)
AC_CHECK_LIB(m, cos, LIBM="-lm")
;;
esac
AC_SUBST([LIBM])
])# LT_LIB_M
# Old name:
AU_ALIAS([AC_CHECK_LIBM], [LT_LIB_M])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_CHECK_LIBM], [])
# _LT_COMPILER_NO_RTTI([TAGNAME])
# -------------------------------
m4_defun([_LT_COMPILER_NO_RTTI],
[m4_require([_LT_TAG_COMPILER])dnl
_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)=
if test "$GCC" = yes; then
case $cc_basename in
nvcc*)
_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)=' -Xcompiler -fno-builtin' ;;
*)
_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)=' -fno-builtin' ;;
esac
_LT_COMPILER_OPTION([if $compiler supports -fno-rtti -fno-exceptions],
lt_cv_prog_compiler_rtti_exceptions,
[-fno-rtti -fno-exceptions], [],
[_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)="$_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1) -fno-rtti -fno-exceptions"])
fi
_LT_TAGDECL([no_builtin_flag], [lt_prog_compiler_no_builtin_flag], [1],
[Compiler flag to turn off builtin functions])
])# _LT_COMPILER_NO_RTTI
# _LT_CMD_GLOBAL_SYMBOLS
# ----------------------
m4_defun([_LT_CMD_GLOBAL_SYMBOLS],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
AC_REQUIRE([AC_PROG_CC])dnl
AC_REQUIRE([AC_PROG_AWK])dnl
AC_REQUIRE([LT_PATH_NM])dnl
AC_REQUIRE([LT_PATH_LD])dnl
m4_require([_LT_DECL_SED])dnl
m4_require([_LT_DECL_EGREP])dnl
m4_require([_LT_TAG_COMPILER])dnl
# Check for command to grab the raw symbol name followed by C symbol from nm.
AC_MSG_CHECKING([command to parse $NM output from $compiler object])
AC_CACHE_VAL([lt_cv_sys_global_symbol_pipe],
[
# These are sane defaults that work on at least a few old systems.
# [They come from Ultrix. What could be older than Ultrix?!! ;)]
# Character class describing NM global symbol codes.
symcode='[[BCDEGRST]]'
# Regexp to match symbols that can be accessed directly from C.
sympat='\([[_A-Za-z]][[_A-Za-z0-9]]*\)'
# Define system-specific variables.
case $host_os in
aix*)
symcode='[[BCDT]]'
;;
cygwin* | mingw* | pw32* | cegcc*)
symcode='[[ABCDGISTW]]'
;;
hpux*)
if test "$host_cpu" = ia64; then
symcode='[[ABCDEGRST]]'
fi
;;
irix* | nonstopux*)
symcode='[[BCDEGRST]]'
;;
osf*)
symcode='[[BCDEGQRST]]'
;;
solaris*)
symcode='[[BDRT]]'
;;
sco3.2v5*)
symcode='[[DT]]'
;;
sysv4.2uw2*)
symcode='[[DT]]'
;;
sysv5* | sco5v6* | unixware* | OpenUNIX*)
symcode='[[ABDT]]'
;;
sysv4)
symcode='[[DFNSTU]]'
;;
esac
# If we're using GNU nm, then use its standard symbol codes.
case `$NM -V 2>&1` in
*GNU* | *'with BFD'*)
symcode='[[ABCDGIRSTW]]' ;;
esac
# Transform an extracted symbol line into a proper C declaration.
# Some systems (esp. on ia64) link data and code symbols differently,
# so use this general approach.
lt_cv_sys_global_symbol_to_cdecl="sed -n -e 's/^T .* \(.*\)$/extern int \1();/p' -e 's/^$symcode* .* \(.*\)$/extern char \1;/p'"
# Transform an extracted symbol line into symbol name and symbol address
lt_cv_sys_global_symbol_to_c_name_address="sed -n -e 's/^: \([[^ ]]*\)[[ ]]*$/ {\\\"\1\\\", (void *) 0},/p' -e 's/^$symcode* \([[^ ]]*\) \([[^ ]]*\)$/ {\"\2\", (void *) \&\2},/p'"
lt_cv_sys_global_symbol_to_c_name_address_lib_prefix="sed -n -e 's/^: \([[^ ]]*\)[[ ]]*$/ {\\\"\1\\\", (void *) 0},/p' -e 's/^$symcode* \([[^ ]]*\) \(lib[[^ ]]*\)$/ {\"\2\", (void *) \&\2},/p' -e 's/^$symcode* \([[^ ]]*\) \([[^ ]]*\)$/ {\"lib\2\", (void *) \&\2},/p'"
# Handle CRLF in mingw tool chain
opt_cr=
case $build_os in
mingw*)
opt_cr=`$ECHO 'x\{0,1\}' | tr x '\015'` # option cr in regexp
;;
esac
# Try without a prefix underscore, then with it.
for ac_symprfx in "" "_"; do
# Transform symcode, sympat, and symprfx into a raw symbol and a C symbol.
symxfrm="\\1 $ac_symprfx\\2 \\2"
# Write the raw and C identifiers.
if test "$lt_cv_nm_interface" = "MS dumpbin"; then
# Fake it for dumpbin and say T for any non-static function
# and D for any global variable.
# Also find C++ and __fastcall symbols from MSVC++,
# which start with @ or ?.
lt_cv_sys_global_symbol_pipe="$AWK ['"\
" {last_section=section; section=\$ 3};"\
" /^COFF SYMBOL TABLE/{for(i in hide) delete hide[i]};"\
" /Section length .*#relocs.*(pick any)/{hide[last_section]=1};"\
" \$ 0!~/External *\|/{next};"\
" / 0+ UNDEF /{next}; / UNDEF \([^|]\)*()/{next};"\
" {if(hide[section]) next};"\
" {f=0}; \$ 0~/\(\).*\|/{f=1}; {printf f ? \"T \" : \"D \"};"\
" {split(\$ 0, a, /\||\r/); split(a[2], s)};"\
" s[1]~/^[@?]/{print s[1], s[1]; next};"\
" s[1]~prfx {split(s[1],t,\"@\"); print t[1], substr(t[1],length(prfx))}"\
" ' prfx=^$ac_symprfx]"
else
lt_cv_sys_global_symbol_pipe="sed -n -e 's/^.*[[ ]]\($symcode$symcode*\)[[ ]][[ ]]*$ac_symprfx$sympat$opt_cr$/$symxfrm/p'"
fi
lt_cv_sys_global_symbol_pipe="$lt_cv_sys_global_symbol_pipe | sed '/ __gnu_lto/d'"
# Check to see that the pipe works correctly.
pipe_works=no
rm -f conftest*
cat > conftest.$ac_ext <<_LT_EOF
#ifdef __cplusplus
extern "C" {
#endif
char nm_test_var;
void nm_test_func(void);
void nm_test_func(void){}
#ifdef __cplusplus
}
#endif
int main(){nm_test_var='a';nm_test_func();return(0);}
_LT_EOF
if AC_TRY_EVAL(ac_compile); then
# Now try to grab the symbols.
nlist=conftest.nm
if AC_TRY_EVAL(NM conftest.$ac_objext \| "$lt_cv_sys_global_symbol_pipe" \> $nlist) && test -s "$nlist"; then
# Try sorting and uniquifying the output.
if sort "$nlist" | uniq > "$nlist"T; then
mv -f "$nlist"T "$nlist"
else
rm -f "$nlist"T
fi
# Make sure that we snagged all the symbols we need.
if $GREP ' nm_test_var$' "$nlist" >/dev/null; then
if $GREP ' nm_test_func$' "$nlist" >/dev/null; then
cat <<_LT_EOF > conftest.$ac_ext
/* Keep this code in sync between libtool.m4, ltmain, lt_system.h, and tests. */
#if defined(_WIN32) || defined(__CYGWIN__) || defined(_WIN32_WCE)
/* DATA imports from DLLs on WIN32 con't be const, because runtime
relocations are performed -- see ld's documentation on pseudo-relocs. */
# define LT@&t@_DLSYM_CONST
#elif defined(__osf__)
/* This system does not cope well with relocations in const data. */
# define LT@&t@_DLSYM_CONST
#else
# define LT@&t@_DLSYM_CONST const
#endif
#ifdef __cplusplus
extern "C" {
#endif
_LT_EOF
# Now generate the symbol file.
eval "$lt_cv_sys_global_symbol_to_cdecl"' < "$nlist" | $GREP -v main >> conftest.$ac_ext'
cat <<_LT_EOF >> conftest.$ac_ext
/* The mapping between symbol names and symbols. */
LT@&t@_DLSYM_CONST struct {
const char *name;
void *address;
}
lt__PROGRAM__LTX_preloaded_symbols[[]] =
{
{ "@PROGRAM@", (void *) 0 },
_LT_EOF
$SED "s/^$symcode$symcode* \(.*\) \(.*\)$/ {\"\2\", (void *) \&\2},/" < "$nlist" | $GREP -v main >> conftest.$ac_ext
cat <<\_LT_EOF >> conftest.$ac_ext
{0, (void *) 0}
};
/* This works around a problem in FreeBSD linker */
#ifdef FREEBSD_WORKAROUND
static const void *lt_preloaded_setup() {
return lt__PROGRAM__LTX_preloaded_symbols;
}
#endif
#ifdef __cplusplus
}
#endif
_LT_EOF
# Now try linking the two files.
mv conftest.$ac_objext conftstm.$ac_objext
lt_globsym_save_LIBS=$LIBS
lt_globsym_save_CFLAGS=$CFLAGS
LIBS="conftstm.$ac_objext"
CFLAGS="$CFLAGS$_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)"
if AC_TRY_EVAL(ac_link) && test -s conftest${ac_exeext}; then
pipe_works=yes
fi
LIBS=$lt_globsym_save_LIBS
CFLAGS=$lt_globsym_save_CFLAGS
else
echo "cannot find nm_test_func in $nlist" >&AS_MESSAGE_LOG_FD
fi
else
echo "cannot find nm_test_var in $nlist" >&AS_MESSAGE_LOG_FD
fi
else
echo "cannot run $lt_cv_sys_global_symbol_pipe" >&AS_MESSAGE_LOG_FD
fi
else
echo "$progname: failed program was:" >&AS_MESSAGE_LOG_FD
cat conftest.$ac_ext >&5
fi
rm -rf conftest* conftst*
# Do not use the global_symbol_pipe unless it works.
if test "$pipe_works" = yes; then
break
else
lt_cv_sys_global_symbol_pipe=
fi
done
])
if test -z "$lt_cv_sys_global_symbol_pipe"; then
lt_cv_sys_global_symbol_to_cdecl=
fi
if test -z "$lt_cv_sys_global_symbol_pipe$lt_cv_sys_global_symbol_to_cdecl"; then
AC_MSG_RESULT(failed)
else
AC_MSG_RESULT(ok)
fi
# Response file support.
if test "$lt_cv_nm_interface" = "MS dumpbin"; then
nm_file_list_spec='@'
elif $NM --help 2>/dev/null | grep '[[@]]FILE' >/dev/null; then
nm_file_list_spec='@'
fi
_LT_DECL([global_symbol_pipe], [lt_cv_sys_global_symbol_pipe], [1],
[Take the output of nm and produce a listing of raw symbols and C names])
_LT_DECL([global_symbol_to_cdecl], [lt_cv_sys_global_symbol_to_cdecl], [1],
[Transform the output of nm in a proper C declaration])
_LT_DECL([global_symbol_to_c_name_address],
[lt_cv_sys_global_symbol_to_c_name_address], [1],
[Transform the output of nm in a C name address pair])
_LT_DECL([global_symbol_to_c_name_address_lib_prefix],
[lt_cv_sys_global_symbol_to_c_name_address_lib_prefix], [1],
[Transform the output of nm in a C name address pair when lib prefix is needed])
_LT_DECL([], [nm_file_list_spec], [1],
[Specify filename containing input files for $NM])
]) # _LT_CMD_GLOBAL_SYMBOLS
# _LT_COMPILER_PIC([TAGNAME])
# ---------------------------
m4_defun([_LT_COMPILER_PIC],
[m4_require([_LT_TAG_COMPILER])dnl
_LT_TAGVAR(lt_prog_compiler_wl, $1)=
_LT_TAGVAR(lt_prog_compiler_pic, $1)=
_LT_TAGVAR(lt_prog_compiler_static, $1)=
m4_if([$1], [CXX], [
# C++ specific cases for pic, static, wl, etc.
if test "$GXX" = yes; then
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
case $host_os in
aix*)
# All AIX code is PIC.
if test "$host_cpu" = ia64; then
# AIX 5 now supports IA64 processor
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
fi
;;
amigaos*)
case $host_cpu in
powerpc)
# see comment about AmigaOS4 .so support
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
m68k)
# FIXME: we need at least 68020 code to build shared libraries, but
# adding the `-m68020' flag to GCC prevents building anything better,
# like `-m68040'.
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-m68020 -resident32 -malways-restore-a4'
;;
esac
;;
beos* | irix5* | irix6* | nonstopux* | osf3* | osf4* | osf5*)
# PIC is the default for these OSes.
;;
mingw* | cygwin* | os2* | pw32* | cegcc*)
# This hack is so that the source file can tell whether it is being
# built for inclusion in a dll (and should export symbols for example).
# Although the cygwin gcc ignores -fPIC, still need this for old-style
# (--disable-auto-import) libraries
m4_if([$1], [GCJ], [],
[_LT_TAGVAR(lt_prog_compiler_pic, $1)='-DDLL_EXPORT'])
;;
darwin* | rhapsody*)
# PIC is the default on this platform
# Common symbols not allowed in MH_DYLIB files
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fno-common'
;;
*djgpp*)
# DJGPP does not support shared libraries at all
_LT_TAGVAR(lt_prog_compiler_pic, $1)=
;;
haiku*)
# PIC is the default for Haiku.
# The "-static" flag exists, but is broken.
_LT_TAGVAR(lt_prog_compiler_static, $1)=
;;
interix[[3-9]]*)
# Interix 3.x gcc -fpic/-fPIC options generate broken code.
# Instead, we relocate shared libraries at runtime.
;;
sysv4*MP*)
if test -d /usr/nec; then
_LT_TAGVAR(lt_prog_compiler_pic, $1)=-Kconform_pic
fi
;;
hpux*)
# PIC is the default for 64-bit PA HP-UX, but not for 32-bit
# PA HP-UX. On IA64 HP-UX, PIC is the default but the pic flag
# sets the default TLS model and affects inlining.
case $host_cpu in
hppa*64*)
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
esac
;;
*qnx* | *nto*)
# QNX uses GNU C++, but need to define -shared option too, otherwise
# it will coredump.
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC -shared'
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
esac
else
case $host_os in
aix[[4-9]]*)
# All AIX code is PIC.
if test "$host_cpu" = ia64; then
# AIX 5 now supports IA64 processor
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
else
_LT_TAGVAR(lt_prog_compiler_static, $1)='-bnso -bI:/lib/syscalls.exp'
fi
;;
chorus*)
case $cc_basename in
cxch68*)
# Green Hills C++ Compiler
# _LT_TAGVAR(lt_prog_compiler_static, $1)="--no_auto_instantiation -u __main -u __premain -u _abort -r $COOL_DIR/lib/libOrb.a $MVME_DIR/lib/CC/libC.a $MVME_DIR/lib/classix/libcx.s.a"
;;
esac
;;
mingw* | cygwin* | os2* | pw32* | cegcc*)
# This hack is so that the source file can tell whether it is being
# built for inclusion in a dll (and should export symbols for example).
m4_if([$1], [GCJ], [],
[_LT_TAGVAR(lt_prog_compiler_pic, $1)='-DDLL_EXPORT'])
;;
dgux*)
case $cc_basename in
ec++*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
;;
ghcx*)
# Green Hills C++ Compiler
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-pic'
;;
*)
;;
esac
;;
freebsd* | dragonfly*)
# FreeBSD uses GNU C++
;;
hpux9* | hpux10* | hpux11*)
case $cc_basename in
CC*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_static, $1)='${wl}-a ${wl}archive'
if test "$host_cpu" != ia64; then
_LT_TAGVAR(lt_prog_compiler_pic, $1)='+Z'
fi
;;
aCC*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_static, $1)='${wl}-a ${wl}archive'
case $host_cpu in
hppa*64*|ia64*)
# +Z the default
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='+Z'
;;
esac
;;
*)
;;
esac
;;
interix*)
# This is c89, which is MS Visual C++ (no shared libs)
# Anyone wants to do a port?
;;
irix5* | irix6* | nonstopux*)
case $cc_basename in
CC*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
# CC pic flag -KPIC is the default.
;;
*)
;;
esac
;;
linux* | k*bsd*-gnu | kopensolaris*-gnu)
case $cc_basename in
KCC*)
# KAI C++ Compiler
_LT_TAGVAR(lt_prog_compiler_wl, $1)='--backend -Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
ecpc* )
# old Intel C++ for x86_64 which still supported -KPIC.
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
icpc* )
# Intel C++, used to be incompatible with GCC.
# ICC 10 doesn't accept -KPIC any more.
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
pgCC* | pgcpp*)
# Portland Group C++ compiler
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
cxx*)
# Compaq C++
# Make sure the PIC flag is empty. It appears that all Alpha
# Linux and Compaq Tru64 Unix objects are PIC.
_LT_TAGVAR(lt_prog_compiler_pic, $1)=
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
;;
xlc* | xlC* | bgxl[[cC]]* | mpixl[[cC]]*)
# IBM XL 8.0, 9.0 on PPC and BlueGene
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-qpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-qstaticlink'
;;
*)
case `$CC -V 2>&1 | sed 5q` in
*Sun\ C*)
# Sun C++ 5.9
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Qoption ld '
;;
esac
;;
esac
;;
lynxos*)
;;
m88k*)
;;
mvs*)
case $cc_basename in
cxx*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-W c,exportall'
;;
*)
;;
esac
;;
netbsd*)
;;
*qnx* | *nto*)
# QNX uses GNU C++, but need to define -shared option too, otherwise
# it will coredump.
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC -shared'
;;
osf3* | osf4* | osf5*)
case $cc_basename in
KCC*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='--backend -Wl,'
;;
RCC*)
# Rational C++ 2.4.1
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-pic'
;;
cxx*)
# Digital/Compaq C++
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
# Make sure the PIC flag is empty. It appears that all Alpha
# Linux and Compaq Tru64 Unix objects are PIC.
_LT_TAGVAR(lt_prog_compiler_pic, $1)=
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
;;
*)
;;
esac
;;
psos*)
;;
solaris*)
case $cc_basename in
CC* | sunCC*)
# Sun C++ 4.2, 5.x and Centerline C++
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Qoption ld '
;;
gcx*)
# Green Hills C++ Compiler
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-PIC'
;;
*)
;;
esac
;;
sunos4*)
case $cc_basename in
CC*)
# Sun C++ 4.x
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-pic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
lcc*)
# Lucid
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-pic'
;;
*)
;;
esac
;;
sysv5* | unixware* | sco3.2v5* | sco5v6* | OpenUNIX*)
case $cc_basename in
CC*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
esac
;;
tandem*)
case $cc_basename in
NCC*)
# NonStop-UX NCC 3.20
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
;;
*)
;;
esac
;;
vxworks*)
;;
*)
_LT_TAGVAR(lt_prog_compiler_can_build_shared, $1)=no
;;
esac
fi
],
[
if test "$GCC" = yes; then
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
case $host_os in
aix*)
# All AIX code is PIC.
if test "$host_cpu" = ia64; then
# AIX 5 now supports IA64 processor
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
fi
;;
amigaos*)
case $host_cpu in
powerpc)
# see comment about AmigaOS4 .so support
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
m68k)
# FIXME: we need at least 68020 code to build shared libraries, but
# adding the `-m68020' flag to GCC prevents building anything better,
# like `-m68040'.
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-m68020 -resident32 -malways-restore-a4'
;;
esac
;;
beos* | irix5* | irix6* | nonstopux* | osf3* | osf4* | osf5*)
# PIC is the default for these OSes.
;;
mingw* | cygwin* | pw32* | os2* | cegcc*)
# This hack is so that the source file can tell whether it is being
# built for inclusion in a dll (and should export symbols for example).
# Although the cygwin gcc ignores -fPIC, still need this for old-style
# (--disable-auto-import) libraries
m4_if([$1], [GCJ], [],
[_LT_TAGVAR(lt_prog_compiler_pic, $1)='-DDLL_EXPORT'])
;;
darwin* | rhapsody*)
# PIC is the default on this platform
# Common symbols not allowed in MH_DYLIB files
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fno-common'
;;
haiku*)
# PIC is the default for Haiku.
# The "-static" flag exists, but is broken.
_LT_TAGVAR(lt_prog_compiler_static, $1)=
;;
hpux*)
# PIC is the default for 64-bit PA HP-UX, but not for 32-bit
# PA HP-UX. On IA64 HP-UX, PIC is the default but the pic flag
# sets the default TLS model and affects inlining.
case $host_cpu in
hppa*64*)
# +Z the default
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
esac
;;
interix[[3-9]]*)
# Interix 3.x gcc -fpic/-fPIC options generate broken code.
# Instead, we relocate shared libraries at runtime.
;;
msdosdjgpp*)
# Just because we use GCC doesn't mean we suddenly get shared libraries
# on systems that don't support them.
_LT_TAGVAR(lt_prog_compiler_can_build_shared, $1)=no
enable_shared=no
;;
*nto* | *qnx*)
# QNX uses GNU C++, but need to define -shared option too, otherwise
# it will coredump.
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC -shared'
;;
sysv4*MP*)
if test -d /usr/nec; then
_LT_TAGVAR(lt_prog_compiler_pic, $1)=-Kconform_pic
fi
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
;;
esac
case $cc_basename in
nvcc*) # Cuda Compiler Driver 2.2
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Xlinker '
if test -n "$_LT_TAGVAR(lt_prog_compiler_pic, $1)"; then
_LT_TAGVAR(lt_prog_compiler_pic, $1)="-Xcompiler $_LT_TAGVAR(lt_prog_compiler_pic, $1)"
fi
;;
esac
else
# PORTME Check for flag to pass linker flags through the system compiler.
case $host_os in
aix*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
if test "$host_cpu" = ia64; then
# AIX 5 now supports IA64 processor
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
else
_LT_TAGVAR(lt_prog_compiler_static, $1)='-bnso -bI:/lib/syscalls.exp'
fi
;;
mingw* | cygwin* | pw32* | os2* | cegcc*)
# This hack is so that the source file can tell whether it is being
# built for inclusion in a dll (and should export symbols for example).
m4_if([$1], [GCJ], [],
[_LT_TAGVAR(lt_prog_compiler_pic, $1)='-DDLL_EXPORT'])
;;
hpux9* | hpux10* | hpux11*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
# PIC is the default for IA64 HP-UX and 64-bit HP-UX, but
# not for PA HP-UX.
case $host_cpu in
hppa*64*|ia64*)
# +Z the default
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='+Z'
;;
esac
# Is there a better lt_prog_compiler_static that works with the bundled CC?
_LT_TAGVAR(lt_prog_compiler_static, $1)='${wl}-a ${wl}archive'
;;
irix5* | irix6* | nonstopux*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
# PIC (with -KPIC) is the default.
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
;;
linux* | k*bsd*-gnu | kopensolaris*-gnu)
case $cc_basename in
# old Intel for x86_64 which still supported -KPIC.
ecc*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
# icc used to be incompatible with GCC.
# ICC 10 doesn't accept -KPIC any more.
icc* | ifort*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
# Lahey Fortran 8.1.
lf95*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='--shared'
_LT_TAGVAR(lt_prog_compiler_static, $1)='--static'
;;
nagfor*)
# NAG Fortran compiler
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,-Wl,,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-PIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
pgcc* | pgf77* | pgf90* | pgf95* | pgfortran*)
# Portland Group compilers (*not* the Pentium gcc compiler,
# which looks to be a dead project)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
ccc*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
# All Alpha code is PIC.
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
;;
xl* | bgxl* | bgf* | mpixl*)
# IBM XL C 8.0/Fortran 10.1, 11.1 on PPC and BlueGene
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-qpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-qstaticlink'
;;
*)
case `$CC -V 2>&1 | sed 5q` in
*Sun\ Ceres\ Fortran* | *Sun*Fortran*\ [[1-7]].* | *Sun*Fortran*\ 8.[[0-3]]*)
# Sun Fortran 8.3 passes all unrecognized flags to the linker
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
_LT_TAGVAR(lt_prog_compiler_wl, $1)=''
;;
*Sun\ F* | *Sun*Fortran*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Qoption ld '
;;
*Sun\ C*)
# Sun C 5.9
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
;;
*Intel*\ [[CF]]*Compiler*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-static'
;;
*Portland\ Group*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fpic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
esac
;;
esac
;;
newsos6)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
*nto* | *qnx*)
# QNX uses GNU C++, but need to define -shared option too, otherwise
# it will coredump.
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-fPIC -shared'
;;
osf3* | osf4* | osf5*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
# All OSF/1 code is PIC.
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
;;
rdos*)
_LT_TAGVAR(lt_prog_compiler_static, $1)='-non_shared'
;;
solaris*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
case $cc_basename in
f77* | f90* | f95* | sunf77* | sunf90* | sunf95*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Qoption ld ';;
*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,';;
esac
;;
sunos4*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Qoption ld '
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-PIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
sysv4 | sysv4.2uw2* | sysv4.3*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
sysv4*MP*)
if test -d /usr/nec ;then
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-Kconform_pic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
fi
;;
sysv5* | unixware* | sco3.2v5* | sco5v6* | OpenUNIX*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-KPIC'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
unicos*)
_LT_TAGVAR(lt_prog_compiler_wl, $1)='-Wl,'
_LT_TAGVAR(lt_prog_compiler_can_build_shared, $1)=no
;;
uts4*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)='-pic'
_LT_TAGVAR(lt_prog_compiler_static, $1)='-Bstatic'
;;
*)
_LT_TAGVAR(lt_prog_compiler_can_build_shared, $1)=no
;;
esac
fi
])
case $host_os in
# For platforms which do not support PIC, -DPIC is meaningless:
*djgpp*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)=
;;
*)
_LT_TAGVAR(lt_prog_compiler_pic, $1)="$_LT_TAGVAR(lt_prog_compiler_pic, $1)@&t@m4_if([$1],[],[ -DPIC],[m4_if([$1],[CXX],[ -DPIC],[])])"
;;
esac
AC_CACHE_CHECK([for $compiler option to produce PIC],
[_LT_TAGVAR(lt_cv_prog_compiler_pic, $1)],
[_LT_TAGVAR(lt_cv_prog_compiler_pic, $1)=$_LT_TAGVAR(lt_prog_compiler_pic, $1)])
_LT_TAGVAR(lt_prog_compiler_pic, $1)=$_LT_TAGVAR(lt_cv_prog_compiler_pic, $1)
#
# Check to make sure the PIC flag actually works.
#
if test -n "$_LT_TAGVAR(lt_prog_compiler_pic, $1)"; then
_LT_COMPILER_OPTION([if $compiler PIC flag $_LT_TAGVAR(lt_prog_compiler_pic, $1) works],
[_LT_TAGVAR(lt_cv_prog_compiler_pic_works, $1)],
[$_LT_TAGVAR(lt_prog_compiler_pic, $1)@&t@m4_if([$1],[],[ -DPIC],[m4_if([$1],[CXX],[ -DPIC],[])])], [],
[case $_LT_TAGVAR(lt_prog_compiler_pic, $1) in
"" | " "*) ;;
*) _LT_TAGVAR(lt_prog_compiler_pic, $1)=" $_LT_TAGVAR(lt_prog_compiler_pic, $1)" ;;
esac],
[_LT_TAGVAR(lt_prog_compiler_pic, $1)=
_LT_TAGVAR(lt_prog_compiler_can_build_shared, $1)=no])
fi
_LT_TAGDECL([pic_flag], [lt_prog_compiler_pic], [1],
[Additional compiler flags for building library objects])
_LT_TAGDECL([wl], [lt_prog_compiler_wl], [1],
[How to pass a linker flag through the compiler])
#
# Check to make sure the static flag actually works.
#
wl=$_LT_TAGVAR(lt_prog_compiler_wl, $1) eval lt_tmp_static_flag=\"$_LT_TAGVAR(lt_prog_compiler_static, $1)\"
_LT_LINKER_OPTION([if $compiler static flag $lt_tmp_static_flag works],
_LT_TAGVAR(lt_cv_prog_compiler_static_works, $1),
$lt_tmp_static_flag,
[],
[_LT_TAGVAR(lt_prog_compiler_static, $1)=])
_LT_TAGDECL([link_static_flag], [lt_prog_compiler_static], [1],
[Compiler flag to prevent dynamic linking])
])# _LT_COMPILER_PIC
# _LT_LINKER_SHLIBS([TAGNAME])
# ----------------------------
# See if the linker supports building shared libraries.
m4_defun([_LT_LINKER_SHLIBS],
[AC_REQUIRE([LT_PATH_LD])dnl
AC_REQUIRE([LT_PATH_NM])dnl
m4_require([_LT_PATH_MANIFEST_TOOL])dnl
m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_DECL_EGREP])dnl
m4_require([_LT_DECL_SED])dnl
m4_require([_LT_CMD_GLOBAL_SYMBOLS])dnl
m4_require([_LT_TAG_COMPILER])dnl
AC_MSG_CHECKING([whether the $compiler linker ($LD) supports shared libraries])
m4_if([$1], [CXX], [
_LT_TAGVAR(export_symbols_cmds, $1)='$NM $libobjs $convenience | $global_symbol_pipe | $SED '\''s/.* //'\'' | sort | uniq > $export_symbols'
_LT_TAGVAR(exclude_expsyms, $1)=['_GLOBAL_OFFSET_TABLE_|_GLOBAL__F[ID]_.*']
case $host_os in
aix[[4-9]]*)
# If we're using GNU nm, then we don't want the "-C" option.
# -C means demangle to AIX nm, but means don't demangle with GNU nm
# Also, AIX nm treats weak defined symbols like other global defined
# symbols, whereas GNU nm marks them as "W".
if $NM -V 2>&1 | $GREP 'GNU' > /dev/null; then
_LT_TAGVAR(export_symbols_cmds, $1)='$NM -Bpg $libobjs $convenience | awk '\''{ if (((\$ 2 == "T") || (\$ 2 == "D") || (\$ 2 == "B") || (\$ 2 == "W")) && ([substr](\$ 3,1,1) != ".")) { print \$ 3 } }'\'' | sort -u > $export_symbols'
else
_LT_TAGVAR(export_symbols_cmds, $1)='$NM -BCpg $libobjs $convenience | awk '\''{ if (((\$ 2 == "T") || (\$ 2 == "D") || (\$ 2 == "B")) && ([substr](\$ 3,1,1) != ".")) { print \$ 3 } }'\'' | sort -u > $export_symbols'
fi
;;
pw32*)
_LT_TAGVAR(export_symbols_cmds, $1)="$ltdll_cmds"
;;
cygwin* | mingw* | cegcc*)
case $cc_basename in
cl*)
_LT_TAGVAR(exclude_expsyms, $1)='_NULL_IMPORT_DESCRIPTOR|_IMPORT_DESCRIPTOR_.*'
;;
*)
_LT_TAGVAR(export_symbols_cmds, $1)='$NM $libobjs $convenience | $global_symbol_pipe | $SED -e '\''/^[[BCDGRS]][[ ]]/s/.*[[ ]]\([[^ ]]*\)/\1 DATA/;s/^.*[[ ]]__nm__\([[^ ]]*\)[[ ]][[^ ]]*/\1 DATA/;/^I[[ ]]/d;/^[[AITW]][[ ]]/s/.* //'\'' | sort | uniq > $export_symbols'
_LT_TAGVAR(exclude_expsyms, $1)=['[_]+GLOBAL_OFFSET_TABLE_|[_]+GLOBAL__[FID]_.*|[_]+head_[A-Za-z0-9_]+_dll|[A-Za-z0-9_]+_dll_iname']
;;
esac
;;
*)
_LT_TAGVAR(export_symbols_cmds, $1)='$NM $libobjs $convenience | $global_symbol_pipe | $SED '\''s/.* //'\'' | sort | uniq > $export_symbols'
;;
esac
], [
runpath_var=
_LT_TAGVAR(allow_undefined_flag, $1)=
_LT_TAGVAR(always_export_symbols, $1)=no
_LT_TAGVAR(archive_cmds, $1)=
_LT_TAGVAR(archive_expsym_cmds, $1)=
_LT_TAGVAR(compiler_needs_object, $1)=no
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=no
_LT_TAGVAR(export_dynamic_flag_spec, $1)=
_LT_TAGVAR(export_symbols_cmds, $1)='$NM $libobjs $convenience | $global_symbol_pipe | $SED '\''s/.* //'\'' | sort | uniq > $export_symbols'
_LT_TAGVAR(hardcode_automatic, $1)=no
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_direct_absolute, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=
_LT_TAGVAR(hardcode_libdir_separator, $1)=
_LT_TAGVAR(hardcode_minus_L, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=unsupported
_LT_TAGVAR(inherit_rpath, $1)=no
_LT_TAGVAR(link_all_deplibs, $1)=unknown
_LT_TAGVAR(module_cmds, $1)=
_LT_TAGVAR(module_expsym_cmds, $1)=
_LT_TAGVAR(old_archive_from_new_cmds, $1)=
_LT_TAGVAR(old_archive_from_expsyms_cmds, $1)=
_LT_TAGVAR(thread_safe_flag_spec, $1)=
_LT_TAGVAR(whole_archive_flag_spec, $1)=
# include_expsyms should be a list of space-separated symbols to be *always*
# included in the symbol list
_LT_TAGVAR(include_expsyms, $1)=
# exclude_expsyms can be an extended regexp of symbols to exclude
# it will be wrapped by ` (' and `)$', so one must not match beginning or
# end of line. Example: `a|bc|.*d.*' will exclude the symbols `a' and `bc',
# as well as any symbol that contains `d'.
_LT_TAGVAR(exclude_expsyms, $1)=['_GLOBAL_OFFSET_TABLE_|_GLOBAL__F[ID]_.*']
# Although _GLOBAL_OFFSET_TABLE_ is a valid symbol C name, most a.out
# platforms (ab)use it in PIC code, but their linkers get confused if
# the symbol is explicitly referenced. Since portable code cannot
# rely on this symbol name, it's probably fine to never include it in
# preloaded symbol tables.
# Exclude shared library initialization/finalization symbols.
dnl Note also adjust exclude_expsyms for C++ above.
extract_expsyms_cmds=
case $host_os in
cygwin* | mingw* | pw32* | cegcc*)
# FIXME: the MSVC++ port hasn't been tested in a loooong time
# When not using gcc, we currently assume that we are using
# Microsoft Visual C++.
if test "$GCC" != yes; then
with_gnu_ld=no
fi
;;
interix*)
# we just hope/assume this is gcc and not c89 (= MSVC++)
with_gnu_ld=yes
;;
openbsd*)
with_gnu_ld=no
;;
esac
_LT_TAGVAR(ld_shlibs, $1)=yes
# On some targets, GNU ld is compatible enough with the native linker
# that we're better off using the native interface for both.
lt_use_gnu_ld_interface=no
if test "$with_gnu_ld" = yes; then
case $host_os in
aix*)
# The AIX port of GNU ld has always aspired to compatibility
# with the native linker. However, as the warning in the GNU ld
# block says, versions before 2.19.5* couldn't really create working
# shared libraries, regardless of the interface used.
case `$LD -v 2>&1` in
*\ \(GNU\ Binutils\)\ 2.19.5*) ;;
*\ \(GNU\ Binutils\)\ 2.[[2-9]]*) ;;
*\ \(GNU\ Binutils\)\ [[3-9]]*) ;;
*)
lt_use_gnu_ld_interface=yes
;;
esac
;;
*)
lt_use_gnu_ld_interface=yes
;;
esac
fi
if test "$lt_use_gnu_ld_interface" = yes; then
# If archive_cmds runs LD, not CC, wlarc should be empty
wlarc='${wl}'
# Set some defaults for GNU ld with shared library support. These
# are reset later if shared libraries are not supported. Putting them
# here allows them to be overridden if necessary.
runpath_var=LD_RUN_PATH
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic'
# ancient GNU ld didn't support --whole-archive et. al.
if $LD --help 2>&1 | $GREP 'no-whole-archive' > /dev/null; then
_LT_TAGVAR(whole_archive_flag_spec, $1)="$wlarc"'--whole-archive$convenience '"$wlarc"'--no-whole-archive'
else
_LT_TAGVAR(whole_archive_flag_spec, $1)=
fi
supports_anon_versioning=no
case `$LD -v 2>&1` in
*GNU\ gold*) supports_anon_versioning=yes ;;
*\ [[01]].* | *\ 2.[[0-9]].* | *\ 2.10.*) ;; # catch versions < 2.11
*\ 2.11.93.0.2\ *) supports_anon_versioning=yes ;; # RH7.3 ...
*\ 2.11.92.0.12\ *) supports_anon_versioning=yes ;; # Mandrake 8.2 ...
*\ 2.11.*) ;; # other 2.11 versions
*) supports_anon_versioning=yes ;;
esac
# See if GNU ld supports shared libraries.
case $host_os in
aix[[3-9]]*)
# On AIX/PPC, the GNU linker is very broken
if test "$host_cpu" != ia64; then
_LT_TAGVAR(ld_shlibs, $1)=no
cat <<_LT_EOF 1>&2
*** Warning: the GNU linker, at least up to release 2.19, is reported
*** to be unable to reliably create shared libraries on AIX.
*** Therefore, libtool is disabling shared libraries support. If you
*** really care for shared libraries, you may want to install binutils
*** 2.20 or above, or modify your PATH so that a non-GNU linker is found.
*** You will then need to restart the configuration process.
_LT_EOF
fi
;;
amigaos*)
case $host_cpu in
powerpc)
# see comment about AmigaOS4 .so support
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)=''
;;
m68k)
_LT_TAGVAR(archive_cmds, $1)='$RM $output_objdir/a2ixlibrary.data~$ECHO "#define NAME $libname" > $output_objdir/a2ixlibrary.data~$ECHO "#define LIBRARY_ID 1" >> $output_objdir/a2ixlibrary.data~$ECHO "#define VERSION $major" >> $output_objdir/a2ixlibrary.data~$ECHO "#define REVISION $revision" >> $output_objdir/a2ixlibrary.data~$AR $AR_FLAGS $lib $libobjs~$RANLIB $lib~(cd $output_objdir && a2ixlibrary -32)'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_minus_L, $1)=yes
;;
esac
;;
beos*)
if $LD --help 2>&1 | $GREP ': supported targets:.* elf' > /dev/null; then
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
# Joseph Beckenbach says some releases of gcc
# support --undefined. This deserves some investigation. FIXME
_LT_TAGVAR(archive_cmds, $1)='$CC -nostart $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
cygwin* | mingw* | pw32* | cegcc*)
# _LT_TAGVAR(hardcode_libdir_flag_spec, $1) is actually meaningless,
# as there is no search path for DLLs.
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-all-symbols'
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
_LT_TAGVAR(always_export_symbols, $1)=no
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=yes
_LT_TAGVAR(export_symbols_cmds, $1)='$NM $libobjs $convenience | $global_symbol_pipe | $SED -e '\''/^[[BCDGRS]][[ ]]/s/.*[[ ]]\([[^ ]]*\)/\1 DATA/;s/^.*[[ ]]__nm__\([[^ ]]*\)[[ ]][[^ ]]*/\1 DATA/;/^I[[ ]]/d;/^[[AITW]][[ ]]/s/.* //'\'' | sort | uniq > $export_symbols'
_LT_TAGVAR(exclude_expsyms, $1)=['[_]+GLOBAL_OFFSET_TABLE_|[_]+GLOBAL__[FID]_.*|[_]+head_[A-Za-z0-9_]+_dll|[A-Za-z0-9_]+_dll_iname']
if $LD --help 2>&1 | $GREP 'auto-import' > /dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags -o $output_objdir/$soname ${wl}--enable-auto-image-base -Xlinker --out-implib -Xlinker $lib'
# If the export-symbols file already is a .def file (1st line
# is EXPORTS), use it as is; otherwise, prepend...
_LT_TAGVAR(archive_expsym_cmds, $1)='if test "x`$SED 1q $export_symbols`" = xEXPORTS; then
cp $export_symbols $output_objdir/$soname.def;
else
echo EXPORTS > $output_objdir/$soname.def;
cat $export_symbols >> $output_objdir/$soname.def;
fi~
$CC -shared $output_objdir/$soname.def $libobjs $deplibs $compiler_flags -o $output_objdir/$soname ${wl}--enable-auto-image-base -Xlinker --out-implib -Xlinker $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
haiku*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(link_all_deplibs, $1)=yes
;;
interix[[3-9]]*)
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
# Hack: On Interix 3.x, we cannot compile PIC because of a broken gcc.
# Instead, shared libraries are loaded at an image base (0x10000000 by
# default) and relocated if they conflict, which is a slow very memory
# consuming and fragmenting process. To avoid this, we pick a random,
# 256 KiB-aligned image base between 0x50000000 and 0x6FFC0000 at link
# time. Moving up from 0x10000000 also allows more sbrk(2) space.
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-h,$soname ${wl}--image-base,`expr ${RANDOM-$$} % 4096 / 2 \* 262144 + 1342177280` -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='sed "s,^,_," $export_symbols >$output_objdir/$soname.expsym~$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-h,$soname ${wl}--retain-symbols-file,$output_objdir/$soname.expsym ${wl}--image-base,`expr ${RANDOM-$$} % 4096 / 2 \* 262144 + 1342177280` -o $lib'
;;
gnu* | linux* | tpf* | k*bsd*-gnu | kopensolaris*-gnu)
tmp_diet=no
if test "$host_os" = linux-dietlibc; then
case $cc_basename in
diet\ *) tmp_diet=yes;; # linux-dietlibc with static linking (!diet-dyn)
esac
fi
if $LD --help 2>&1 | $EGREP ': supported targets:.* elf' > /dev/null \
&& test "$tmp_diet" = no
then
tmp_addflag=' $pic_flag'
tmp_sharedflag='-shared'
case $cc_basename,$host_cpu in
pgcc*) # Portland Group C compiler
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` ${wl}--no-whole-archive'
tmp_addflag=' $pic_flag'
;;
pgf77* | pgf90* | pgf95* | pgfortran*)
# Portland Group f77 and f90 compilers
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` ${wl}--no-whole-archive'
tmp_addflag=' $pic_flag -Mnomain' ;;
ecc*,ia64* | icc*,ia64*) # Intel C compiler on ia64
tmp_addflag=' -i_dynamic' ;;
efc*,ia64* | ifort*,ia64*) # Intel Fortran compiler on ia64
tmp_addflag=' -i_dynamic -nofor_main' ;;
ifc* | ifort*) # Intel Fortran compiler
tmp_addflag=' -nofor_main' ;;
lf95*) # Lahey Fortran 8.1
_LT_TAGVAR(whole_archive_flag_spec, $1)=
tmp_sharedflag='--shared' ;;
xl[[cC]]* | bgxl[[cC]]* | mpixl[[cC]]*) # IBM XL C 8.0 on PPC (deal with xlf below)
tmp_sharedflag='-qmkshrobj'
tmp_addflag= ;;
nvcc*) # Cuda Compiler Driver 2.2
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` ${wl}--no-whole-archive'
_LT_TAGVAR(compiler_needs_object, $1)=yes
;;
esac
case `$CC -V 2>&1 | sed 5q` in
*Sun\ C*) # Sun C 5.9
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive`new_convenience=; for conv in $convenience\"\"; do test -z \"$conv\" || new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` ${wl}--no-whole-archive'
_LT_TAGVAR(compiler_needs_object, $1)=yes
tmp_sharedflag='-G' ;;
*Sun\ F*) # Sun Fortran 8.3
tmp_sharedflag='-G' ;;
esac
_LT_TAGVAR(archive_cmds, $1)='$CC '"$tmp_sharedflag""$tmp_addflag"' $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
if test "x$supports_anon_versioning" = xyes; then
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $output_objdir/$libname.ver~
cat $export_symbols | sed -e "s/\(.*\)/\1;/" >> $output_objdir/$libname.ver~
echo "local: *; };" >> $output_objdir/$libname.ver~
$CC '"$tmp_sharedflag""$tmp_addflag"' $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-version-script ${wl}$output_objdir/$libname.ver -o $lib'
fi
case $cc_basename in
xlf* | bgf* | bgxlf* | mpixlf*)
# IBM XL Fortran 10.1 on PPC cannot create shared libs itself
_LT_TAGVAR(whole_archive_flag_spec, $1)='--whole-archive$convenience --no-whole-archive'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(archive_cmds, $1)='$LD -shared $libobjs $deplibs $linker_flags -soname $soname -o $lib'
if test "x$supports_anon_versioning" = xyes; then
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $output_objdir/$libname.ver~
cat $export_symbols | sed -e "s/\(.*\)/\1;/" >> $output_objdir/$libname.ver~
echo "local: *; };" >> $output_objdir/$libname.ver~
$LD -shared $libobjs $deplibs $linker_flags -soname $soname -version-script $output_objdir/$libname.ver -o $lib'
fi
;;
esac
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
netbsd*)
if echo __ELF__ | $CC -E - | $GREP __ELF__ >/dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$LD -Bshareable $libobjs $deplibs $linker_flags -o $lib'
wlarc=
else
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
fi
;;
solaris*)
if $LD -v 2>&1 | $GREP 'BFD 2\.8' > /dev/null; then
_LT_TAGVAR(ld_shlibs, $1)=no
cat <<_LT_EOF 1>&2
*** Warning: The releases 2.8.* of the GNU linker cannot reliably
*** create shared libraries on Solaris systems. Therefore, libtool
*** is disabling shared libraries support. We urge you to upgrade GNU
*** binutils to release 2.9.1 or newer. Another option is to modify
*** your PATH or compiler configuration so that the native linker is
*** used, and then restart.
_LT_EOF
elif $LD --help 2>&1 | $GREP ': supported targets:.* elf' > /dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
sysv5* | sco3.2v5* | sco5v6* | unixware* | OpenUNIX*)
case `$LD -v 2>&1` in
*\ [[01]].* | *\ 2.[[0-9]].* | *\ 2.1[[0-5]].*)
_LT_TAGVAR(ld_shlibs, $1)=no
cat <<_LT_EOF 1>&2
*** Warning: Releases of the GNU linker prior to 2.16.91.0.3 can not
*** reliably create shared libraries on SCO systems. Therefore, libtool
*** is disabling shared libraries support. We urge you to upgrade GNU
*** binutils to release 2.16.91.0.3 or newer. Another option is to modify
*** your PATH or compiler configuration so that the native linker is
*** used, and then restart.
_LT_EOF
;;
*)
# For security reasons, it is highly recommended that you always
# use absolute paths for naming shared libraries, and exclude the
# DT_RUNPATH tag from executables and libraries. But doing so
# requires that you compile everything twice, which is a pain.
if $LD --help 2>&1 | $GREP ': supported targets:.* elf' > /dev/null; then
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
esac
;;
sunos4*)
_LT_TAGVAR(archive_cmds, $1)='$LD -assert pure-text -Bshareable -o $lib $libobjs $deplibs $linker_flags'
wlarc=
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
*)
if $LD --help 2>&1 | $GREP ': supported targets:.* elf' > /dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
esac
if test "$_LT_TAGVAR(ld_shlibs, $1)" = no; then
runpath_var=
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=
_LT_TAGVAR(export_dynamic_flag_spec, $1)=
_LT_TAGVAR(whole_archive_flag_spec, $1)=
fi
else
# PORTME fill in a description of your system's linker (not GNU ld)
case $host_os in
aix3*)
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
_LT_TAGVAR(always_export_symbols, $1)=yes
_LT_TAGVAR(archive_expsym_cmds, $1)='$LD -o $output_objdir/$soname $libobjs $deplibs $linker_flags -bE:$export_symbols -T512 -H512 -bM:SRE~$AR $AR_FLAGS $lib $output_objdir/$soname'
# Note: this linker hardcodes the directories in LIBPATH if there
# are no directories specified by -L.
_LT_TAGVAR(hardcode_minus_L, $1)=yes
if test "$GCC" = yes && test -z "$lt_prog_compiler_static"; then
# Neither direct hardcoding nor static linking is supported with a
# broken collect2.
_LT_TAGVAR(hardcode_direct, $1)=unsupported
fi
;;
aix[[4-9]]*)
if test "$host_cpu" = ia64; then
# On IA64, the linker does run time linking by default, so we don't
# have to do anything special.
aix_use_runtimelinking=no
exp_sym_flag='-Bexport'
no_entry_flag=""
else
# If we're using GNU nm, then we don't want the "-C" option.
# -C means demangle to AIX nm, but means don't demangle with GNU nm
# Also, AIX nm treats weak defined symbols like other global
# defined symbols, whereas GNU nm marks them as "W".
if $NM -V 2>&1 | $GREP 'GNU' > /dev/null; then
_LT_TAGVAR(export_symbols_cmds, $1)='$NM -Bpg $libobjs $convenience | awk '\''{ if (((\$ 2 == "T") || (\$ 2 == "D") || (\$ 2 == "B") || (\$ 2 == "W")) && ([substr](\$ 3,1,1) != ".")) { print \$ 3 } }'\'' | sort -u > $export_symbols'
else
_LT_TAGVAR(export_symbols_cmds, $1)='$NM -BCpg $libobjs $convenience | awk '\''{ if (((\$ 2 == "T") || (\$ 2 == "D") || (\$ 2 == "B")) && ([substr](\$ 3,1,1) != ".")) { print \$ 3 } }'\'' | sort -u > $export_symbols'
fi
aix_use_runtimelinking=no
# Test if we are trying to use run time linking or normal
# AIX style linking. If -brtl is somewhere in LDFLAGS, we
# need to do runtime linking.
case $host_os in aix4.[[23]]|aix4.[[23]].*|aix[[5-9]]*)
for ld_flag in $LDFLAGS; do
if (test $ld_flag = "-brtl" || test $ld_flag = "-Wl,-brtl"); then
aix_use_runtimelinking=yes
break
fi
done
;;
esac
exp_sym_flag='-bexport'
no_entry_flag='-bnoentry'
fi
# When large executables or shared objects are built, AIX ld can
# have problems creating the table of contents. If linking a library
# or program results in "error TOC overflow" add -mminimal-toc to
# CXXFLAGS/CFLAGS for g++/gcc. In the cases where that is not
# enough to fix the problem, add -Wl,-bbigtoc to LDFLAGS.
_LT_TAGVAR(archive_cmds, $1)=''
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
_LT_TAGVAR(hardcode_libdir_separator, $1)=':'
_LT_TAGVAR(link_all_deplibs, $1)=yes
_LT_TAGVAR(file_list_spec, $1)='${wl}-f,'
if test "$GCC" = yes; then
case $host_os in aix4.[[012]]|aix4.[[012]].*)
# We only want to do this on AIX 4.2 and lower, the check
# below for broken collect2 doesn't work under 4.3+
collect2name=`${CC} -print-prog-name=collect2`
if test -f "$collect2name" &&
strings "$collect2name" | $GREP resolve_lib_name >/dev/null
then
# We have reworked collect2
:
else
# We have old collect2
_LT_TAGVAR(hardcode_direct, $1)=unsupported
# It fails to find uninstalled libraries when the uninstalled
# path is not listed in the libpath. Setting hardcode_minus_L
# to unsupported forces relinking
_LT_TAGVAR(hardcode_minus_L, $1)=yes
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=
fi
;;
esac
shared_flag='-shared'
if test "$aix_use_runtimelinking" = yes; then
shared_flag="$shared_flag "'${wl}-G'
fi
else
# not using gcc
if test "$host_cpu" = ia64; then
# VisualAge C++, Version 5.5 for AIX 5L for IA-64, Beta 3 Release
# chokes on -Wl,-G. The following line is correct:
shared_flag='-G'
else
if test "$aix_use_runtimelinking" = yes; then
shared_flag='${wl}-G'
else
shared_flag='${wl}-bM:SRE'
fi
fi
fi
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-bexpall'
# It seems that -bexpall does not export symbols beginning with
# underscore (_), so it is better to generate a list of symbols to export.
_LT_TAGVAR(always_export_symbols, $1)=yes
if test "$aix_use_runtimelinking" = yes; then
# Warning - without using the other runtime loading flags (-brtl),
# -berok will link without error, but may produce a broken library.
_LT_TAGVAR(allow_undefined_flag, $1)='-berok'
# Determine the default libpath from the value encoded in an
# empty executable.
_LT_SYS_MODULE_PATH_AIX([$1])
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-blibpath:$libdir:'"$aix_libpath"
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -o $output_objdir/$soname $libobjs $deplibs '"\${wl}$no_entry_flag"' $compiler_flags `if test "x${allow_undefined_flag}" != "x"; then func_echo_all "${wl}${allow_undefined_flag}"; else :; fi` '"\${wl}$exp_sym_flag:\$export_symbols $shared_flag"
else
if test "$host_cpu" = ia64; then
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-R $libdir:/usr/lib:/lib'
_LT_TAGVAR(allow_undefined_flag, $1)="-z nodefs"
_LT_TAGVAR(archive_expsym_cmds, $1)="\$CC $shared_flag"' -o $output_objdir/$soname $libobjs $deplibs '"\${wl}$no_entry_flag"' $compiler_flags ${wl}${allow_undefined_flag} '"\${wl}$exp_sym_flag:\$export_symbols"
else
# Determine the default libpath from the value encoded in an
# empty executable.
_LT_SYS_MODULE_PATH_AIX([$1])
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-blibpath:$libdir:'"$aix_libpath"
# Warning - without using the other run time loading flags,
# -berok will link without error, but may produce a broken library.
_LT_TAGVAR(no_undefined_flag, $1)=' ${wl}-bernotok'
_LT_TAGVAR(allow_undefined_flag, $1)=' ${wl}-berok'
if test "$with_gnu_ld" = yes; then
# We only use this code for GNU lds that support --whole-archive.
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive$convenience ${wl}--no-whole-archive'
else
# Exported symbols can be pulled into shared objects from archives
_LT_TAGVAR(whole_archive_flag_spec, $1)='$convenience'
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)=yes
# This is similar to how AIX traditionally builds its shared libraries.
_LT_TAGVAR(archive_expsym_cmds, $1)="\$CC $shared_flag"' -o $output_objdir/$soname $libobjs $deplibs ${wl}-bnoentry $compiler_flags ${wl}-bE:$export_symbols${allow_undefined_flag}~$AR $AR_FLAGS $output_objdir/$libname$release.a $output_objdir/$soname'
fi
fi
;;
amigaos*)
case $host_cpu in
powerpc)
# see comment about AmigaOS4 .so support
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)=''
;;
m68k)
_LT_TAGVAR(archive_cmds, $1)='$RM $output_objdir/a2ixlibrary.data~$ECHO "#define NAME $libname" > $output_objdir/a2ixlibrary.data~$ECHO "#define LIBRARY_ID 1" >> $output_objdir/a2ixlibrary.data~$ECHO "#define VERSION $major" >> $output_objdir/a2ixlibrary.data~$ECHO "#define REVISION $revision" >> $output_objdir/a2ixlibrary.data~$AR $AR_FLAGS $lib $libobjs~$RANLIB $lib~(cd $output_objdir && a2ixlibrary -32)'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_minus_L, $1)=yes
;;
esac
;;
bsdi[[45]]*)
_LT_TAGVAR(export_dynamic_flag_spec, $1)=-rdynamic
;;
cygwin* | mingw* | pw32* | cegcc*)
# When not using gcc, we currently assume that we are using
# Microsoft Visual C++.
# hardcode_libdir_flag_spec is actually meaningless, as there is
# no search path for DLLs.
case $cc_basename in
cl*)
# Native MSVC
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=' '
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
_LT_TAGVAR(always_export_symbols, $1)=yes
_LT_TAGVAR(file_list_spec, $1)='@'
# Tell ltmain to make .lib files, not .a files.
libext=lib
# Tell ltmain to make .dll files, not .so files.
shrext_cmds=".dll"
# FIXME: Setting linknames here is a bad hack.
_LT_TAGVAR(archive_cmds, $1)='$CC -o $output_objdir/$soname $libobjs $compiler_flags $deplibs -Wl,-dll~linknames='
_LT_TAGVAR(archive_expsym_cmds, $1)='if test "x`$SED 1q $export_symbols`" = xEXPORTS; then
sed -n -e 's/\\\\\\\(.*\\\\\\\)/-link\\\ -EXPORT:\\\\\\\1/' -e '1\\\!p' < $export_symbols > $output_objdir/$soname.exp;
else
sed -e 's/\\\\\\\(.*\\\\\\\)/-link\\\ -EXPORT:\\\\\\\1/' < $export_symbols > $output_objdir/$soname.exp;
fi~
$CC -o $tool_output_objdir$soname $libobjs $compiler_flags $deplibs "@$tool_output_objdir$soname.exp" -Wl,-DLL,-IMPLIB:"$tool_output_objdir$libname.dll.lib"~
linknames='
# The linker will not automatically build a static lib if we build a DLL.
# _LT_TAGVAR(old_archive_from_new_cmds, $1)='true'
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=yes
_LT_TAGVAR(exclude_expsyms, $1)='_NULL_IMPORT_DESCRIPTOR|_IMPORT_DESCRIPTOR_.*'
_LT_TAGVAR(export_symbols_cmds, $1)='$NM $libobjs $convenience | $global_symbol_pipe | $SED -e '\''/^[[BCDGRS]][[ ]]/s/.*[[ ]]\([[^ ]]*\)/\1,DATA/'\'' | $SED -e '\''/^[[AITW]][[ ]]/s/.*[[ ]]//'\'' | sort | uniq > $export_symbols'
# Don't use ranlib
_LT_TAGVAR(old_postinstall_cmds, $1)='chmod 644 $oldlib'
_LT_TAGVAR(postlink_cmds, $1)='lt_outputfile="@OUTPUT@"~
lt_tool_outputfile="@TOOL_OUTPUT@"~
case $lt_outputfile in
*.exe|*.EXE) ;;
*)
lt_outputfile="$lt_outputfile.exe"
lt_tool_outputfile="$lt_tool_outputfile.exe"
;;
esac~
if test "$MANIFEST_TOOL" != ":" && test -f "$lt_outputfile.manifest"; then
$MANIFEST_TOOL -manifest "$lt_tool_outputfile.manifest" -outputresource:"$lt_tool_outputfile" || exit 1;
$RM "$lt_outputfile.manifest";
fi'
;;
*)
# Assume MSVC wrapper
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=' '
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
# Tell ltmain to make .lib files, not .a files.
libext=lib
# Tell ltmain to make .dll files, not .so files.
shrext_cmds=".dll"
# FIXME: Setting linknames here is a bad hack.
_LT_TAGVAR(archive_cmds, $1)='$CC -o $lib $libobjs $compiler_flags `func_echo_all "$deplibs" | $SED '\''s/ -lc$//'\''` -link -dll~linknames='
# The linker will automatically build a .lib file if we build a DLL.
_LT_TAGVAR(old_archive_from_new_cmds, $1)='true'
# FIXME: Should let the user specify the lib program.
_LT_TAGVAR(old_archive_cmds, $1)='lib -OUT:$oldlib$oldobjs$old_deplibs'
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=yes
;;
esac
;;
darwin* | rhapsody*)
_LT_DARWIN_LINKER_FEATURES($1)
;;
dgux*)
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
# FreeBSD 2.2.[012] allows us to include c++rt0.o to get C++ constructor
# support. Future versions do this automatically, but an explicit c++rt0.o
# does not break anything, and helps significantly (at the cost of a little
# extra space).
freebsd2.2*)
_LT_TAGVAR(archive_cmds, $1)='$LD -Bshareable -o $lib $libobjs $deplibs $linker_flags /usr/lib/c++rt0.o'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
# Unfortunately, older versions of FreeBSD 2 do not have this feature.
freebsd2.*)
_LT_TAGVAR(archive_cmds, $1)='$LD -Bshareable -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_minus_L, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
# FreeBSD 3 and greater uses gcc -shared to do shared libraries.
freebsd* | dragonfly*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
hpux9*)
if test "$GCC" = yes; then
_LT_TAGVAR(archive_cmds, $1)='$RM $output_objdir/$soname~$CC -shared $pic_flag ${wl}+b ${wl}$install_libdir -o $output_objdir/$soname $libobjs $deplibs $compiler_flags~test $output_objdir/$soname = $lib || mv $output_objdir/$soname $lib'
else
_LT_TAGVAR(archive_cmds, $1)='$RM $output_objdir/$soname~$LD -b +b $install_libdir -o $output_objdir/$soname $libobjs $deplibs $linker_flags~test $output_objdir/$soname = $lib || mv $output_objdir/$soname $lib'
fi
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}+b ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
_LT_TAGVAR(hardcode_direct, $1)=yes
# hardcode_minus_L: Not really in the search PATH,
# but as the default location of the library.
_LT_TAGVAR(hardcode_minus_L, $1)=yes
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
;;
hpux10*)
if test "$GCC" = yes && test "$with_gnu_ld" = no; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag ${wl}+h ${wl}$soname ${wl}+b ${wl}$install_libdir -o $lib $libobjs $deplibs $compiler_flags'
else
_LT_TAGVAR(archive_cmds, $1)='$LD -b +h $soname +b $install_libdir -o $lib $libobjs $deplibs $linker_flags'
fi
if test "$with_gnu_ld" = no; then
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}+b ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
# hardcode_minus_L: Not really in the search PATH,
# but as the default location of the library.
_LT_TAGVAR(hardcode_minus_L, $1)=yes
fi
;;
hpux11*)
if test "$GCC" = yes && test "$with_gnu_ld" = no; then
case $host_cpu in
hppa*64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared ${wl}+h ${wl}$soname -o $lib $libobjs $deplibs $compiler_flags'
;;
ia64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag ${wl}+h ${wl}$soname ${wl}+nodefaultrpath -o $lib $libobjs $deplibs $compiler_flags'
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag ${wl}+h ${wl}$soname ${wl}+b ${wl}$install_libdir -o $lib $libobjs $deplibs $compiler_flags'
;;
esac
else
case $host_cpu in
hppa*64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname -o $lib $libobjs $deplibs $compiler_flags'
;;
ia64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname ${wl}+nodefaultrpath -o $lib $libobjs $deplibs $compiler_flags'
;;
*)
m4_if($1, [], [
# Older versions of the 11.00 compiler do not understand -b yet
# (HP92453-01 A.11.01.20 doesn't, HP92453-01 B.11.X.35175-35176.GP does)
_LT_LINKER_OPTION([if $CC understands -b],
_LT_TAGVAR(lt_cv_prog_compiler__b, $1), [-b],
[_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname ${wl}+b ${wl}$install_libdir -o $lib $libobjs $deplibs $compiler_flags'],
[_LT_TAGVAR(archive_cmds, $1)='$LD -b +h $soname +b $install_libdir -o $lib $libobjs $deplibs $linker_flags'])],
[_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname ${wl}+b ${wl}$install_libdir -o $lib $libobjs $deplibs $compiler_flags'])
;;
esac
fi
if test "$with_gnu_ld" = no; then
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}+b ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
case $host_cpu in
hppa*64*|ia64*)
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
*)
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
# hardcode_minus_L: Not really in the search PATH,
# but as the default location of the library.
_LT_TAGVAR(hardcode_minus_L, $1)=yes
;;
esac
fi
;;
irix5* | irix6* | nonstopux*)
if test "$GCC" = yes; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations -o $lib'
# Try to use the -exported_symbol ld option, if it does not
# work, assume that -exports_file does not work either and
# implicitly export all symbols.
# This should be the same for all languages, so no per-tag cache variable.
AC_CACHE_CHECK([whether the $host_os linker accepts -exported_symbol],
[lt_cv_irix_exported_symbol],
[save_LDFLAGS="$LDFLAGS"
LDFLAGS="$LDFLAGS -shared ${wl}-exported_symbol ${wl}foo ${wl}-update_registry ${wl}/dev/null"
AC_LINK_IFELSE(
[AC_LANG_SOURCE(
[AC_LANG_CASE([C], [[int foo (void) { return 0; }]],
[C++], [[int foo (void) { return 0; }]],
[Fortran 77], [[
subroutine foo
end]],
[Fortran], [[
subroutine foo
end]])])],
[lt_cv_irix_exported_symbol=yes],
[lt_cv_irix_exported_symbol=no])
LDFLAGS="$save_LDFLAGS"])
if test "$lt_cv_irix_exported_symbol" = yes; then
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations ${wl}-exports_file ${wl}$export_symbols -o $lib'
fi
else
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags -soname $soname `test -n "$verstring" && func_echo_all "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags -soname $soname `test -n "$verstring" && func_echo_all "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -exports_file $export_symbols -o $lib'
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)='no'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
_LT_TAGVAR(inherit_rpath, $1)=yes
_LT_TAGVAR(link_all_deplibs, $1)=yes
;;
netbsd*)
if echo __ELF__ | $CC -E - | $GREP __ELF__ >/dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$LD -Bshareable -o $lib $libobjs $deplibs $linker_flags' # a.out
else
_LT_TAGVAR(archive_cmds, $1)='$LD -shared -o $lib $libobjs $deplibs $linker_flags' # ELF
fi
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
newsos6)
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
*nto* | *qnx*)
;;
openbsd*)
if test -f /usr/libexec/ld.so; then
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
if test -z "`echo __ELF__ | $CC -E - | $GREP __ELF__`" || test "$host_os-$host_cpu" = "openbsd2.8-powerpc"; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag -o $lib $libobjs $deplibs $compiler_flags ${wl}-retain-symbols-file,$export_symbols'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
else
case $host_os in
openbsd[[01]].* | openbsd2.[[0-7]] | openbsd2.[[0-7]].*)
_LT_TAGVAR(archive_cmds, $1)='$LD -Bshareable -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
;;
esac
fi
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
os2*)
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_minus_L, $1)=yes
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
_LT_TAGVAR(archive_cmds, $1)='$ECHO "LIBRARY $libname INITINSTANCE" > $output_objdir/$libname.def~$ECHO "DESCRIPTION \"$libname\"" >> $output_objdir/$libname.def~echo DATA >> $output_objdir/$libname.def~echo " SINGLE NONSHARED" >> $output_objdir/$libname.def~echo EXPORTS >> $output_objdir/$libname.def~emxexp $libobjs >> $output_objdir/$libname.def~$CC -Zdll -Zcrtdll -o $lib $libobjs $deplibs $compiler_flags $output_objdir/$libname.def'
_LT_TAGVAR(old_archive_from_new_cmds, $1)='emximp -o $output_objdir/$libname.a $output_objdir/$libname.def'
;;
osf3*)
if test "$GCC" = yes; then
_LT_TAGVAR(allow_undefined_flag, $1)=' ${wl}-expect_unresolved ${wl}\*'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared${allow_undefined_flag} $libobjs $deplibs $compiler_flags ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations -o $lib'
else
_LT_TAGVAR(allow_undefined_flag, $1)=' -expect_unresolved \*'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared${allow_undefined_flag} $libobjs $deplibs $compiler_flags -soname $soname `test -n "$verstring" && func_echo_all "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib'
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)='no'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
;;
osf4* | osf5*) # as osf3* with the addition of -msym flag
if test "$GCC" = yes; then
_LT_TAGVAR(allow_undefined_flag, $1)=' ${wl}-expect_unresolved ${wl}\*'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared${allow_undefined_flag} $pic_flag $libobjs $deplibs $compiler_flags ${wl}-msym ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations -o $lib'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
else
_LT_TAGVAR(allow_undefined_flag, $1)=' -expect_unresolved \*'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared${allow_undefined_flag} $libobjs $deplibs $compiler_flags -msym -soname $soname `test -n "$verstring" && func_echo_all "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='for i in `cat $export_symbols`; do printf "%s %s\\n" -exported_symbol "\$i" >> $lib.exp; done; printf "%s\\n" "-hidden">> $lib.exp~
$CC -shared${allow_undefined_flag} ${wl}-input ${wl}$lib.exp $compiler_flags $libobjs $deplibs -soname $soname `test -n "$verstring" && $ECHO "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib~$RM $lib.exp'
# Both c and cxx compiler support -rpath directly
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-rpath $libdir'
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)='no'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
;;
solaris*)
_LT_TAGVAR(no_undefined_flag, $1)=' -z defs'
if test "$GCC" = yes; then
wlarc='${wl}'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag ${wl}-z ${wl}text ${wl}-h ${wl}$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $lib.exp~cat $export_symbols | $SED -e "s/\(.*\)/\1;/" >> $lib.exp~echo "local: *; };" >> $lib.exp~
$CC -shared $pic_flag ${wl}-z ${wl}text ${wl}-M ${wl}$lib.exp ${wl}-h ${wl}$soname -o $lib $libobjs $deplibs $compiler_flags~$RM $lib.exp'
else
case `$CC -V 2>&1` in
*"Compilers 5.0"*)
wlarc=''
_LT_TAGVAR(archive_cmds, $1)='$LD -G${allow_undefined_flag} -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $lib.exp~cat $export_symbols | $SED -e "s/\(.*\)/\1;/" >> $lib.exp~echo "local: *; };" >> $lib.exp~
$LD -G${allow_undefined_flag} -M $lib.exp -h $soname -o $lib $libobjs $deplibs $linker_flags~$RM $lib.exp'
;;
*)
wlarc='${wl}'
_LT_TAGVAR(archive_cmds, $1)='$CC -G${allow_undefined_flag} -h $soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $lib.exp~cat $export_symbols | $SED -e "s/\(.*\)/\1;/" >> $lib.exp~echo "local: *; };" >> $lib.exp~
$CC -G${allow_undefined_flag} -M $lib.exp -h $soname -o $lib $libobjs $deplibs $compiler_flags~$RM $lib.exp'
;;
esac
fi
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
case $host_os in
solaris2.[[0-5]] | solaris2.[[0-5]].*) ;;
*)
# The compiler driver will combine and reorder linker options,
# but understands `-z linker_flag'. GCC discards it without `$wl',
# but is careful enough not to reorder.
# Supported since Solaris 2.6 (maybe 2.5.1?)
if test "$GCC" = yes; then
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}-z ${wl}allextract$convenience ${wl}-z ${wl}defaultextract'
else
_LT_TAGVAR(whole_archive_flag_spec, $1)='-z allextract$convenience -z defaultextract'
fi
;;
esac
_LT_TAGVAR(link_all_deplibs, $1)=yes
;;
sunos4*)
if test "x$host_vendor" = xsequent; then
# Use $CC to link under sequent, because it throws in some extra .o
# files that make .init and .fini sections work.
_LT_TAGVAR(archive_cmds, $1)='$CC -G ${wl}-h $soname -o $lib $libobjs $deplibs $compiler_flags'
else
_LT_TAGVAR(archive_cmds, $1)='$LD -assert pure-text -Bstatic -o $lib $libobjs $deplibs $linker_flags'
fi
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_minus_L, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
sysv4)
case $host_vendor in
sni)
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_direct, $1)=yes # is this really true???
;;
siemens)
## LD is ld it makes a PLAMLIB
## CC just makes a GrossModule.
_LT_TAGVAR(archive_cmds, $1)='$LD -G -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(reload_cmds, $1)='$CC -r -o $output$reload_objs'
_LT_TAGVAR(hardcode_direct, $1)=no
;;
motorola)
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_direct, $1)=no #Motorola manual says yes, but my tests say they lie
;;
esac
runpath_var='LD_RUN_PATH'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
sysv4.3*)
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(export_dynamic_flag_spec, $1)='-Bexport'
;;
sysv4*MP*)
if test -d /usr/nec; then
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
runpath_var=LD_RUN_PATH
hardcode_runpath_var=yes
_LT_TAGVAR(ld_shlibs, $1)=yes
fi
;;
sysv4*uw2* | sysv5OpenUNIX* | sysv5UnixWare7.[[01]].[[10]]* | unixware7* | sco3.2v5.0.[[024]]*)
_LT_TAGVAR(no_undefined_flag, $1)='${wl}-z,text'
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
runpath_var='LD_RUN_PATH'
if test "$GCC" = yes; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
else
_LT_TAGVAR(archive_cmds, $1)='$CC -G ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -G ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
fi
;;
sysv5* | sco3.2v5* | sco5v6*)
# Note: We can NOT use -z defs as we might desire, because we do not
# link with -lc, and that would cause any symbols used from libc to
# always be unresolved, which means just about no library would
# ever link correctly. If we're not using GNU ld we use -z text
# though, which does catch some bad symbols but isn't as heavy-handed
# as -z defs.
_LT_TAGVAR(no_undefined_flag, $1)='${wl}-z,text'
_LT_TAGVAR(allow_undefined_flag, $1)='${wl}-z,nodefs'
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-R,$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=':'
_LT_TAGVAR(link_all_deplibs, $1)=yes
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-Bexport'
runpath_var='LD_RUN_PATH'
if test "$GCC" = yes; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
else
_LT_TAGVAR(archive_cmds, $1)='$CC -G ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -G ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
fi
;;
uts4*)
_LT_TAGVAR(archive_cmds, $1)='$LD -G -h $soname -o $lib $libobjs $deplibs $linker_flags'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
*)
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
if test x$host_vendor = xsni; then
case $host in
sysv4 | sysv4.2uw2* | sysv4.3* | sysv5*)
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-Blargedynsym'
;;
esac
fi
fi
])
AC_MSG_RESULT([$_LT_TAGVAR(ld_shlibs, $1)])
test "$_LT_TAGVAR(ld_shlibs, $1)" = no && can_build_shared=no
_LT_TAGVAR(with_gnu_ld, $1)=$with_gnu_ld
_LT_DECL([], [libext], [0], [Old archive suffix (normally "a")])dnl
_LT_DECL([], [shrext_cmds], [1], [Shared library suffix (normally ".so")])dnl
_LT_DECL([], [extract_expsyms_cmds], [2],
[The commands to extract the exported symbol list from a shared archive])
#
# Do we need to explicitly link libc?
#
case "x$_LT_TAGVAR(archive_cmds_need_lc, $1)" in
x|xyes)
# Assume -lc should be added
_LT_TAGVAR(archive_cmds_need_lc, $1)=yes
if test "$enable_shared" = yes && test "$GCC" = yes; then
case $_LT_TAGVAR(archive_cmds, $1) in
*'~'*)
# FIXME: we may have to deal with multi-command sequences.
;;
'$CC '*)
# Test whether the compiler implicitly links with -lc since on some
# systems, -lgcc has to come before -lc. If gcc already passes -lc
# to ld, don't add -lc before -lgcc.
AC_CACHE_CHECK([whether -lc should be explicitly linked in],
[lt_cv_]_LT_TAGVAR(archive_cmds_need_lc, $1),
[$RM conftest*
echo "$lt_simple_compile_test_code" > conftest.$ac_ext
if AC_TRY_EVAL(ac_compile) 2>conftest.err; then
soname=conftest
lib=conftest
libobjs=conftest.$ac_objext
deplibs=
wl=$_LT_TAGVAR(lt_prog_compiler_wl, $1)
pic_flag=$_LT_TAGVAR(lt_prog_compiler_pic, $1)
compiler_flags=-v
linker_flags=-v
verstring=
output_objdir=.
libname=conftest
lt_save_allow_undefined_flag=$_LT_TAGVAR(allow_undefined_flag, $1)
_LT_TAGVAR(allow_undefined_flag, $1)=
if AC_TRY_EVAL(_LT_TAGVAR(archive_cmds, $1) 2\>\&1 \| $GREP \" -lc \" \>/dev/null 2\>\&1)
then
lt_cv_[]_LT_TAGVAR(archive_cmds_need_lc, $1)=no
else
lt_cv_[]_LT_TAGVAR(archive_cmds_need_lc, $1)=yes
fi
_LT_TAGVAR(allow_undefined_flag, $1)=$lt_save_allow_undefined_flag
else
cat conftest.err 1>&5
fi
$RM conftest*
])
_LT_TAGVAR(archive_cmds_need_lc, $1)=$lt_cv_[]_LT_TAGVAR(archive_cmds_need_lc, $1)
;;
esac
fi
;;
esac
_LT_TAGDECL([build_libtool_need_lc], [archive_cmds_need_lc], [0],
[Whether or not to add -lc for building shared libraries])
_LT_TAGDECL([allow_libtool_libs_with_static_runtimes],
[enable_shared_with_static_runtimes], [0],
[Whether or not to disallow shared libs when runtime libs are static])
_LT_TAGDECL([], [export_dynamic_flag_spec], [1],
[Compiler flag to allow reflexive dlopens])
_LT_TAGDECL([], [whole_archive_flag_spec], [1],
[Compiler flag to generate shared objects directly from archives])
_LT_TAGDECL([], [compiler_needs_object], [1],
[Whether the compiler copes with passing no objects directly])
_LT_TAGDECL([], [old_archive_from_new_cmds], [2],
[Create an old-style archive from a shared archive])
_LT_TAGDECL([], [old_archive_from_expsyms_cmds], [2],
[Create a temporary old-style archive to link instead of a shared archive])
_LT_TAGDECL([], [archive_cmds], [2], [Commands used to build a shared archive])
_LT_TAGDECL([], [archive_expsym_cmds], [2])
_LT_TAGDECL([], [module_cmds], [2],
[Commands used to build a loadable module if different from building
a shared archive.])
_LT_TAGDECL([], [module_expsym_cmds], [2])
_LT_TAGDECL([], [with_gnu_ld], [1],
[Whether we are building with GNU ld or not])
_LT_TAGDECL([], [allow_undefined_flag], [1],
[Flag that allows shared libraries with undefined symbols to be built])
_LT_TAGDECL([], [no_undefined_flag], [1],
[Flag that enforces no undefined symbols])
_LT_TAGDECL([], [hardcode_libdir_flag_spec], [1],
[Flag to hardcode $libdir into a binary during linking.
This must work even if $libdir does not exist])
_LT_TAGDECL([], [hardcode_libdir_separator], [1],
[Whether we need a single "-rpath" flag with a separated argument])
_LT_TAGDECL([], [hardcode_direct], [0],
[Set to "yes" if using DIR/libNAME${shared_ext} during linking hardcodes
DIR into the resulting binary])
_LT_TAGDECL([], [hardcode_direct_absolute], [0],
[Set to "yes" if using DIR/libNAME${shared_ext} during linking hardcodes
DIR into the resulting binary and the resulting library dependency is
"absolute", i.e impossible to change by setting ${shlibpath_var} if the
library is relocated])
_LT_TAGDECL([], [hardcode_minus_L], [0],
[Set to "yes" if using the -LDIR flag during linking hardcodes DIR
into the resulting binary])
_LT_TAGDECL([], [hardcode_shlibpath_var], [0],
[Set to "yes" if using SHLIBPATH_VAR=DIR during linking hardcodes DIR
into the resulting binary])
_LT_TAGDECL([], [hardcode_automatic], [0],
[Set to "yes" if building a shared library automatically hardcodes DIR
into the library and all subsequent libraries and executables linked
against it])
_LT_TAGDECL([], [inherit_rpath], [0],
[Set to yes if linker adds runtime paths of dependent libraries
to runtime path list])
_LT_TAGDECL([], [link_all_deplibs], [0],
[Whether libtool must link a program against all its dependency libraries])
_LT_TAGDECL([], [always_export_symbols], [0],
[Set to "yes" if exported symbols are required])
_LT_TAGDECL([], [export_symbols_cmds], [2],
[The commands to list exported symbols])
_LT_TAGDECL([], [exclude_expsyms], [1],
[Symbols that should not be listed in the preloaded symbols])
_LT_TAGDECL([], [include_expsyms], [1],
[Symbols that must always be exported])
_LT_TAGDECL([], [prelink_cmds], [2],
[Commands necessary for linking programs (against libraries) with templates])
_LT_TAGDECL([], [postlink_cmds], [2],
[Commands necessary for finishing linking programs])
_LT_TAGDECL([], [file_list_spec], [1],
[Specify filename containing input files])
dnl FIXME: Not yet implemented
dnl _LT_TAGDECL([], [thread_safe_flag_spec], [1],
dnl [Compiler flag to generate thread safe objects])
])# _LT_LINKER_SHLIBS
# _LT_LANG_C_CONFIG([TAG])
# ------------------------
# Ensure that the configuration variables for a C compiler are suitably
# defined. These variables are subsequently used by _LT_CONFIG to write
# the compiler configuration to `libtool'.
m4_defun([_LT_LANG_C_CONFIG],
[m4_require([_LT_DECL_EGREP])dnl
lt_save_CC="$CC"
AC_LANG_PUSH(C)
# Source file extension for C test sources.
ac_ext=c
# Object file extension for compiled C test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# Code to be used in simple compile tests
lt_simple_compile_test_code="int some_variable = 0;"
# Code to be used in simple link tests
lt_simple_link_test_code='int main(){return(0);}'
_LT_TAG_COMPILER
# Save the default compiler, since it gets overwritten when the other
# tags are being tested, and _LT_TAGVAR(compiler, []) is a NOP.
compiler_DEFAULT=$CC
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
## CAVEAT EMPTOR:
## There is no encapsulation within the following macros, do not change
## the running order or otherwise move them around unless you know exactly
## what you are doing...
if test -n "$compiler"; then
_LT_COMPILER_NO_RTTI($1)
_LT_COMPILER_PIC($1)
_LT_COMPILER_C_O($1)
_LT_COMPILER_FILE_LOCKS($1)
_LT_LINKER_SHLIBS($1)
_LT_SYS_DYNAMIC_LINKER($1)
_LT_LINKER_HARDCODE_LIBPATH($1)
LT_SYS_DLOPEN_SELF
_LT_CMD_STRIPLIB
# Report which library types will actually be built
AC_MSG_CHECKING([if libtool supports shared libraries])
AC_MSG_RESULT([$can_build_shared])
AC_MSG_CHECKING([whether to build shared libraries])
test "$can_build_shared" = "no" && enable_shared=no
# On AIX, shared libraries and static libraries use the same namespace, and
# are all built from PIC.
case $host_os in
aix3*)
test "$enable_shared" = yes && enable_static=no
if test -n "$RANLIB"; then
archive_cmds="$archive_cmds~\$RANLIB \$lib"
postinstall_cmds='$RANLIB $lib'
fi
;;
aix[[4-9]]*)
if test "$host_cpu" != ia64 && test "$aix_use_runtimelinking" = no ; then
test "$enable_shared" = yes && enable_static=no
fi
;;
esac
AC_MSG_RESULT([$enable_shared])
AC_MSG_CHECKING([whether to build static libraries])
# Make sure either enable_shared or enable_static is yes.
test "$enable_shared" = yes || enable_static=yes
AC_MSG_RESULT([$enable_static])
_LT_CONFIG($1)
fi
AC_LANG_POP
CC="$lt_save_CC"
])# _LT_LANG_C_CONFIG
# _LT_LANG_CXX_CONFIG([TAG])
# --------------------------
# Ensure that the configuration variables for a C++ compiler are suitably
# defined. These variables are subsequently used by _LT_CONFIG to write
# the compiler configuration to `libtool'.
m4_defun([_LT_LANG_CXX_CONFIG],
[m4_require([_LT_FILEUTILS_DEFAULTS])dnl
m4_require([_LT_DECL_EGREP])dnl
m4_require([_LT_PATH_MANIFEST_TOOL])dnl
if test -n "$CXX" && ( test "X$CXX" != "Xno" &&
( (test "X$CXX" = "Xg++" && `g++ -v >/dev/null 2>&1` ) ||
(test "X$CXX" != "Xg++"))) ; then
AC_PROG_CXXCPP
else
_lt_caught_CXX_error=yes
fi
AC_LANG_PUSH(C++)
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(allow_undefined_flag, $1)=
_LT_TAGVAR(always_export_symbols, $1)=no
_LT_TAGVAR(archive_expsym_cmds, $1)=
_LT_TAGVAR(compiler_needs_object, $1)=no
_LT_TAGVAR(export_dynamic_flag_spec, $1)=
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_direct_absolute, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=
_LT_TAGVAR(hardcode_libdir_separator, $1)=
_LT_TAGVAR(hardcode_minus_L, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=unsupported
_LT_TAGVAR(hardcode_automatic, $1)=no
_LT_TAGVAR(inherit_rpath, $1)=no
_LT_TAGVAR(module_cmds, $1)=
_LT_TAGVAR(module_expsym_cmds, $1)=
_LT_TAGVAR(link_all_deplibs, $1)=unknown
_LT_TAGVAR(old_archive_cmds, $1)=$old_archive_cmds
_LT_TAGVAR(reload_flag, $1)=$reload_flag
_LT_TAGVAR(reload_cmds, $1)=$reload_cmds
_LT_TAGVAR(no_undefined_flag, $1)=
_LT_TAGVAR(whole_archive_flag_spec, $1)=
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=no
# Source file extension for C++ test sources.
ac_ext=cpp
# Object file extension for compiled C++ test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# No sense in running all these tests if we already determined that
# the CXX compiler isn't working. Some variables (like enable_shared)
# are currently assumed to apply to all compilers on this platform,
# and will be corrupted by setting them based on a non-working compiler.
if test "$_lt_caught_CXX_error" != yes; then
# Code to be used in simple compile tests
lt_simple_compile_test_code="int some_variable = 0;"
# Code to be used in simple link tests
lt_simple_link_test_code='int main(int, char *[[]]) { return(0); }'
# ltmain only uses $CC for tagged configurations so make sure $CC is set.
_LT_TAG_COMPILER
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
# Allow CC to be a program name with arguments.
lt_save_CC=$CC
lt_save_CFLAGS=$CFLAGS
lt_save_LD=$LD
lt_save_GCC=$GCC
GCC=$GXX
lt_save_with_gnu_ld=$with_gnu_ld
lt_save_path_LD=$lt_cv_path_LD
if test -n "${lt_cv_prog_gnu_ldcxx+set}"; then
lt_cv_prog_gnu_ld=$lt_cv_prog_gnu_ldcxx
else
$as_unset lt_cv_prog_gnu_ld
fi
if test -n "${lt_cv_path_LDCXX+set}"; then
lt_cv_path_LD=$lt_cv_path_LDCXX
else
$as_unset lt_cv_path_LD
fi
test -z "${LDCXX+set}" || LD=$LDCXX
CC=${CXX-"c++"}
CFLAGS=$CXXFLAGS
compiler=$CC
_LT_TAGVAR(compiler, $1)=$CC
_LT_CC_BASENAME([$compiler])
if test -n "$compiler"; then
# We don't want -fno-exception when compiling C++ code, so set the
# no_builtin_flag separately
if test "$GXX" = yes; then
_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)=' -fno-builtin'
else
_LT_TAGVAR(lt_prog_compiler_no_builtin_flag, $1)=
fi
if test "$GXX" = yes; then
# Set up default GNU C++ configuration
LT_PATH_LD
# Check if GNU C++ uses GNU ld as the underlying linker, since the
# archiving commands below assume that GNU ld is being used.
if test "$with_gnu_ld" = yes; then
_LT_TAGVAR(archive_cmds, $1)='$CC $pic_flag -shared -nostdlib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC $pic_flag -shared -nostdlib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic'
# If archive_cmds runs LD, not CC, wlarc should be empty
# XXX I think wlarc can be eliminated in ltcf-cxx, but I need to
# investigate it a little bit more. (MM)
wlarc='${wl}'
# ancient GNU ld didn't support --whole-archive et. al.
if eval "`$CC -print-prog-name=ld` --help 2>&1" |
$GREP 'no-whole-archive' > /dev/null; then
_LT_TAGVAR(whole_archive_flag_spec, $1)="$wlarc"'--whole-archive$convenience '"$wlarc"'--no-whole-archive'
else
_LT_TAGVAR(whole_archive_flag_spec, $1)=
fi
else
with_gnu_ld=no
wlarc=
# A generic and very simple default shared library creation
# command for GNU C++ for the case where it uses the native
# linker, instead of GNU ld. If possible, this setting should
# overridden to take advantage of the native linker features on
# the platform it is being used on.
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -nostdlib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -o $lib'
fi
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
output_verbose_link_cmd='$CC -shared $CFLAGS -v conftest.$objext 2>&1 | $GREP -v "^Configured with:" | $GREP "\-L"'
else
GXX=no
with_gnu_ld=no
wlarc=
fi
# PORTME: fill in a description of your system's C++ link characteristics
AC_MSG_CHECKING([whether the $compiler linker ($LD) supports shared libraries])
_LT_TAGVAR(ld_shlibs, $1)=yes
case $host_os in
aix3*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
aix[[4-9]]*)
if test "$host_cpu" = ia64; then
# On IA64, the linker does run time linking by default, so we don't
# have to do anything special.
aix_use_runtimelinking=no
exp_sym_flag='-Bexport'
no_entry_flag=""
else
aix_use_runtimelinking=no
# Test if we are trying to use run time linking or normal
# AIX style linking. If -brtl is somewhere in LDFLAGS, we
# need to do runtime linking.
case $host_os in aix4.[[23]]|aix4.[[23]].*|aix[[5-9]]*)
for ld_flag in $LDFLAGS; do
case $ld_flag in
*-brtl*)
aix_use_runtimelinking=yes
break
;;
esac
done
;;
esac
exp_sym_flag='-bexport'
no_entry_flag='-bnoentry'
fi
# When large executables or shared objects are built, AIX ld can
# have problems creating the table of contents. If linking a library
# or program results in "error TOC overflow" add -mminimal-toc to
# CXXFLAGS/CFLAGS for g++/gcc. In the cases where that is not
# enough to fix the problem, add -Wl,-bbigtoc to LDFLAGS.
_LT_TAGVAR(archive_cmds, $1)=''
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
_LT_TAGVAR(hardcode_libdir_separator, $1)=':'
_LT_TAGVAR(link_all_deplibs, $1)=yes
_LT_TAGVAR(file_list_spec, $1)='${wl}-f,'
if test "$GXX" = yes; then
case $host_os in aix4.[[012]]|aix4.[[012]].*)
# We only want to do this on AIX 4.2 and lower, the check
# below for broken collect2 doesn't work under 4.3+
collect2name=`${CC} -print-prog-name=collect2`
if test -f "$collect2name" &&
strings "$collect2name" | $GREP resolve_lib_name >/dev/null
then
# We have reworked collect2
:
else
# We have old collect2
_LT_TAGVAR(hardcode_direct, $1)=unsupported
# It fails to find uninstalled libraries when the uninstalled
# path is not listed in the libpath. Setting hardcode_minus_L
# to unsupported forces relinking
_LT_TAGVAR(hardcode_minus_L, $1)=yes
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=
fi
esac
shared_flag='-shared'
if test "$aix_use_runtimelinking" = yes; then
shared_flag="$shared_flag "'${wl}-G'
fi
else
# not using gcc
if test "$host_cpu" = ia64; then
# VisualAge C++, Version 5.5 for AIX 5L for IA-64, Beta 3 Release
# chokes on -Wl,-G. The following line is correct:
shared_flag='-G'
else
if test "$aix_use_runtimelinking" = yes; then
shared_flag='${wl}-G'
else
shared_flag='${wl}-bM:SRE'
fi
fi
fi
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-bexpall'
# It seems that -bexpall does not export symbols beginning with
# underscore (_), so it is better to generate a list of symbols to
# export.
_LT_TAGVAR(always_export_symbols, $1)=yes
if test "$aix_use_runtimelinking" = yes; then
# Warning - without using the other runtime loading flags (-brtl),
# -berok will link without error, but may produce a broken library.
_LT_TAGVAR(allow_undefined_flag, $1)='-berok'
# Determine the default libpath from the value encoded in an empty
# executable.
_LT_SYS_MODULE_PATH_AIX([$1])
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-blibpath:$libdir:'"$aix_libpath"
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -o $output_objdir/$soname $libobjs $deplibs '"\${wl}$no_entry_flag"' $compiler_flags `if test "x${allow_undefined_flag}" != "x"; then func_echo_all "${wl}${allow_undefined_flag}"; else :; fi` '"\${wl}$exp_sym_flag:\$export_symbols $shared_flag"
else
if test "$host_cpu" = ia64; then
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-R $libdir:/usr/lib:/lib'
_LT_TAGVAR(allow_undefined_flag, $1)="-z nodefs"
_LT_TAGVAR(archive_expsym_cmds, $1)="\$CC $shared_flag"' -o $output_objdir/$soname $libobjs $deplibs '"\${wl}$no_entry_flag"' $compiler_flags ${wl}${allow_undefined_flag} '"\${wl}$exp_sym_flag:\$export_symbols"
else
# Determine the default libpath from the value encoded in an
# empty executable.
_LT_SYS_MODULE_PATH_AIX([$1])
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-blibpath:$libdir:'"$aix_libpath"
# Warning - without using the other run time loading flags,
# -berok will link without error, but may produce a broken library.
_LT_TAGVAR(no_undefined_flag, $1)=' ${wl}-bernotok'
_LT_TAGVAR(allow_undefined_flag, $1)=' ${wl}-berok'
if test "$with_gnu_ld" = yes; then
# We only use this code for GNU lds that support --whole-archive.
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive$convenience ${wl}--no-whole-archive'
else
# Exported symbols can be pulled into shared objects from archives
_LT_TAGVAR(whole_archive_flag_spec, $1)='$convenience'
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)=yes
# This is similar to how AIX traditionally builds its shared
# libraries.
_LT_TAGVAR(archive_expsym_cmds, $1)="\$CC $shared_flag"' -o $output_objdir/$soname $libobjs $deplibs ${wl}-bnoentry $compiler_flags ${wl}-bE:$export_symbols${allow_undefined_flag}~$AR $AR_FLAGS $output_objdir/$libname$release.a $output_objdir/$soname'
fi
fi
;;
beos*)
if $LD --help 2>&1 | $GREP ': supported targets:.* elf' > /dev/null; then
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
# Joseph Beckenbach says some releases of gcc
# support --undefined. This deserves some investigation. FIXME
_LT_TAGVAR(archive_cmds, $1)='$CC -nostart $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
chorus*)
case $cc_basename in
*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
;;
cygwin* | mingw* | pw32* | cegcc*)
case $GXX,$cc_basename in
,cl* | no,cl*)
# Native MSVC
# hardcode_libdir_flag_spec is actually meaningless, as there is
# no search path for DLLs.
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=' '
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
_LT_TAGVAR(always_export_symbols, $1)=yes
_LT_TAGVAR(file_list_spec, $1)='@'
# Tell ltmain to make .lib files, not .a files.
libext=lib
# Tell ltmain to make .dll files, not .so files.
shrext_cmds=".dll"
# FIXME: Setting linknames here is a bad hack.
_LT_TAGVAR(archive_cmds, $1)='$CC -o $output_objdir/$soname $libobjs $compiler_flags $deplibs -Wl,-dll~linknames='
_LT_TAGVAR(archive_expsym_cmds, $1)='if test "x`$SED 1q $export_symbols`" = xEXPORTS; then
$SED -n -e 's/\\\\\\\(.*\\\\\\\)/-link\\\ -EXPORT:\\\\\\\1/' -e '1\\\!p' < $export_symbols > $output_objdir/$soname.exp;
else
$SED -e 's/\\\\\\\(.*\\\\\\\)/-link\\\ -EXPORT:\\\\\\\1/' < $export_symbols > $output_objdir/$soname.exp;
fi~
$CC -o $tool_output_objdir$soname $libobjs $compiler_flags $deplibs "@$tool_output_objdir$soname.exp" -Wl,-DLL,-IMPLIB:"$tool_output_objdir$libname.dll.lib"~
linknames='
# The linker will not automatically build a static lib if we build a DLL.
# _LT_TAGVAR(old_archive_from_new_cmds, $1)='true'
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=yes
# Don't use ranlib
_LT_TAGVAR(old_postinstall_cmds, $1)='chmod 644 $oldlib'
_LT_TAGVAR(postlink_cmds, $1)='lt_outputfile="@OUTPUT@"~
lt_tool_outputfile="@TOOL_OUTPUT@"~
case $lt_outputfile in
*.exe|*.EXE) ;;
*)
lt_outputfile="$lt_outputfile.exe"
lt_tool_outputfile="$lt_tool_outputfile.exe"
;;
esac~
func_to_tool_file "$lt_outputfile"~
if test "$MANIFEST_TOOL" != ":" && test -f "$lt_outputfile.manifest"; then
$MANIFEST_TOOL -manifest "$lt_tool_outputfile.manifest" -outputresource:"$lt_tool_outputfile" || exit 1;
$RM "$lt_outputfile.manifest";
fi'
;;
*)
# g++
# _LT_TAGVAR(hardcode_libdir_flag_spec, $1) is actually meaningless,
# as there is no search path for DLLs.
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-L$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-all-symbols'
_LT_TAGVAR(allow_undefined_flag, $1)=unsupported
_LT_TAGVAR(always_export_symbols, $1)=no
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=yes
if $LD --help 2>&1 | $GREP 'auto-import' > /dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -nostdlib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -o $output_objdir/$soname ${wl}--enable-auto-image-base -Xlinker --out-implib -Xlinker $lib'
# If the export-symbols file already is a .def file (1st line
# is EXPORTS), use it as is; otherwise, prepend...
_LT_TAGVAR(archive_expsym_cmds, $1)='if test "x`$SED 1q $export_symbols`" = xEXPORTS; then
cp $export_symbols $output_objdir/$soname.def;
else
echo EXPORTS > $output_objdir/$soname.def;
cat $export_symbols >> $output_objdir/$soname.def;
fi~
$CC -shared -nostdlib $output_objdir/$soname.def $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -o $output_objdir/$soname ${wl}--enable-auto-image-base -Xlinker --out-implib -Xlinker $lib'
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
esac
;;
darwin* | rhapsody*)
_LT_DARWIN_LINKER_FEATURES($1)
;;
dgux*)
case $cc_basename in
ec++*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
ghcx*)
# Green Hills C++ Compiler
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
;;
freebsd2.*)
# C++ shared libraries reported to be fairly broken before
# switch to ELF
_LT_TAGVAR(ld_shlibs, $1)=no
;;
freebsd-elf*)
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
;;
freebsd* | dragonfly*)
# FreeBSD 3 and later use GNU C++ and GNU ld with standard ELF
# conventions
_LT_TAGVAR(ld_shlibs, $1)=yes
;;
gnu*)
;;
haiku*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(link_all_deplibs, $1)=yes
;;
hpux9*)
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}+b ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_minus_L, $1)=yes # Not in the search PATH,
# but as the default
# location of the library.
case $cc_basename in
CC*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
aCC*)
_LT_TAGVAR(archive_cmds, $1)='$RM $output_objdir/$soname~$CC -b ${wl}+b ${wl}$install_libdir -o $output_objdir/$soname $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags~test $output_objdir/$soname = $lib || mv $output_objdir/$soname $lib'
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
#
# There doesn't appear to be a way to prevent this compiler from
# explicitly linking system object files so we need to strip them
# from the output so that they don't get included in the library
# dependencies.
output_verbose_link_cmd='templist=`($CC -b $CFLAGS -v conftest.$objext 2>&1) | $EGREP "\-L"`; list=""; for z in $templist; do case $z in conftest.$objext) list="$list $z";; *.$objext);; *) list="$list $z";;esac; done; func_echo_all "$list"'
;;
*)
if test "$GXX" = yes; then
_LT_TAGVAR(archive_cmds, $1)='$RM $output_objdir/$soname~$CC -shared -nostdlib $pic_flag ${wl}+b ${wl}$install_libdir -o $output_objdir/$soname $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags~test $output_objdir/$soname = $lib || mv $output_objdir/$soname $lib'
else
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
esac
;;
hpux10*|hpux11*)
if test $with_gnu_ld = no; then
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}+b ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
case $host_cpu in
hppa*64*|ia64*)
;;
*)
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
;;
esac
fi
case $host_cpu in
hppa*64*|ia64*)
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
;;
*)
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
_LT_TAGVAR(hardcode_minus_L, $1)=yes # Not in the search PATH,
# but as the default
# location of the library.
;;
esac
case $cc_basename in
CC*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
aCC*)
case $host_cpu in
hppa*64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
;;
ia64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname ${wl}+nodefaultrpath -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -b ${wl}+h ${wl}$soname ${wl}+b ${wl}$install_libdir -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
;;
esac
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
#
# There doesn't appear to be a way to prevent this compiler from
# explicitly linking system object files so we need to strip them
# from the output so that they don't get included in the library
# dependencies.
output_verbose_link_cmd='templist=`($CC -b $CFLAGS -v conftest.$objext 2>&1) | $GREP "\-L"`; list=""; for z in $templist; do case $z in conftest.$objext) list="$list $z";; *.$objext);; *) list="$list $z";;esac; done; func_echo_all "$list"'
;;
*)
if test "$GXX" = yes; then
if test $with_gnu_ld = no; then
case $host_cpu in
hppa*64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -nostdlib -fPIC ${wl}+h ${wl}$soname -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
;;
ia64*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -nostdlib $pic_flag ${wl}+h ${wl}$soname ${wl}+nodefaultrpath -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -nostdlib $pic_flag ${wl}+h ${wl}$soname ${wl}+b ${wl}$install_libdir -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
;;
esac
fi
else
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
esac
;;
interix[[3-9]]*)
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
# Hack: On Interix 3.x, we cannot compile PIC because of a broken gcc.
# Instead, shared libraries are loaded at an image base (0x10000000 by
# default) and relocated if they conflict, which is a slow very memory
# consuming and fragmenting process. To avoid this, we pick a random,
# 256 KiB-aligned image base between 0x50000000 and 0x6FFC0000 at link
# time. Moving up from 0x10000000 also allows more sbrk(2) space.
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-h,$soname ${wl}--image-base,`expr ${RANDOM-$$} % 4096 / 2 \* 262144 + 1342177280` -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='sed "s,^,_," $export_symbols >$output_objdir/$soname.expsym~$CC -shared $pic_flag $libobjs $deplibs $compiler_flags ${wl}-h,$soname ${wl}--retain-symbols-file,$output_objdir/$soname.expsym ${wl}--image-base,`expr ${RANDOM-$$} % 4096 / 2 \* 262144 + 1342177280` -o $lib'
;;
irix5* | irix6*)
case $cc_basename in
CC*)
# SGI C++
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -all -multigot $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -soname $soname `test -n "$verstring" && func_echo_all "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib'
# Archives containing C++ object files must be created using
# "CC -ar", where "CC" is the IRIX C++ compiler. This is
# necessary to make sure instantiated templates are included
# in the archive.
_LT_TAGVAR(old_archive_cmds, $1)='$CC -ar -WR,-u -o $oldlib $oldobjs'
;;
*)
if test "$GXX" = yes; then
if test "$with_gnu_ld" = no; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -nostdlib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations -o $lib'
else
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -nostdlib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` -o $lib'
fi
fi
_LT_TAGVAR(link_all_deplibs, $1)=yes
;;
esac
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
_LT_TAGVAR(inherit_rpath, $1)=yes
;;
linux* | k*bsd*-gnu | kopensolaris*-gnu)
case $cc_basename in
KCC*)
# Kuck and Associates, Inc. (KAI) C++ Compiler
# KCC will only create a shared library if the output file
# ends with ".so" (or ".sl" for HP-UX), so rename the library
# to its proper name (with version) after linking.
_LT_TAGVAR(archive_cmds, $1)='tempext=`echo $shared_ext | $SED -e '\''s/\([[^()0-9A-Za-z{}]]\)/\\\\\1/g'\''`; templib=`echo $lib | $SED -e "s/\${tempext}\..*/.so/"`; $CC $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags --soname $soname -o \$templib; mv \$templib $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='tempext=`echo $shared_ext | $SED -e '\''s/\([[^()0-9A-Za-z{}]]\)/\\\\\1/g'\''`; templib=`echo $lib | $SED -e "s/\${tempext}\..*/.so/"`; $CC $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags --soname $soname -o \$templib ${wl}-retain-symbols-file,$export_symbols; mv \$templib $lib'
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
#
# There doesn't appear to be a way to prevent this compiler from
# explicitly linking system object files so we need to strip them
# from the output so that they don't get included in the library
# dependencies.
output_verbose_link_cmd='templist=`$CC $CFLAGS -v conftest.$objext -o libconftest$shared_ext 2>&1 | $GREP "ld"`; rm -f libconftest$shared_ext; list=""; for z in $templist; do case $z in conftest.$objext) list="$list $z";; *.$objext);; *) list="$list $z";;esac; done; func_echo_all "$list"'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic'
# Archives containing C++ object files must be created using
# "CC -Bstatic", where "CC" is the KAI C++ compiler.
_LT_TAGVAR(old_archive_cmds, $1)='$CC -Bstatic -o $oldlib $oldobjs'
;;
icpc* | ecpc* )
# Intel C++
with_gnu_ld=yes
# version 8.0 and above of icpc choke on multiply defined symbols
# if we add $predep_objects and $postdep_objects, however 7.1 and
# earlier do not add the objects themselves.
case `$CC -V 2>&1` in
*"Version 7."*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
;;
*) # Version 8.0 or newer
tmp_idyn=
case $host_cpu in
ia64*) tmp_idyn=' -i_dynamic';;
esac
_LT_TAGVAR(archive_cmds, $1)='$CC -shared'"$tmp_idyn"' $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared'"$tmp_idyn"' $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-retain-symbols-file $wl$export_symbols -o $lib'
;;
esac
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic'
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive$convenience ${wl}--no-whole-archive'
;;
pgCC* | pgcpp*)
# Portland Group C++ compiler
case `$CC -V` in
*pgCC\ [[1-5]].* | *pgcpp\ [[1-5]].*)
_LT_TAGVAR(prelink_cmds, $1)='tpldir=Template.dir~
rm -rf $tpldir~
$CC --prelink_objects --instantiation_dir $tpldir $objs $libobjs $compile_deplibs~
compile_command="$compile_command `find $tpldir -name \*.o | sort | $NL2SP`"'
_LT_TAGVAR(old_archive_cmds, $1)='tpldir=Template.dir~
rm -rf $tpldir~
$CC --prelink_objects --instantiation_dir $tpldir $oldobjs$old_deplibs~
$AR $AR_FLAGS $oldlib$oldobjs$old_deplibs `find $tpldir -name \*.o | sort | $NL2SP`~
$RANLIB $oldlib'
_LT_TAGVAR(archive_cmds, $1)='tpldir=Template.dir~
rm -rf $tpldir~
$CC --prelink_objects --instantiation_dir $tpldir $predep_objects $libobjs $deplibs $convenience $postdep_objects~
$CC -shared $pic_flag $predep_objects $libobjs $deplibs `find $tpldir -name \*.o | sort | $NL2SP` $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='tpldir=Template.dir~
rm -rf $tpldir~
$CC --prelink_objects --instantiation_dir $tpldir $predep_objects $libobjs $deplibs $convenience $postdep_objects~
$CC -shared $pic_flag $predep_objects $libobjs $deplibs `find $tpldir -name \*.o | sort | $NL2SP` $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname ${wl}-retain-symbols-file ${wl}$export_symbols -o $lib'
;;
*) # Version 6 and above use weak symbols
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname ${wl}-retain-symbols-file ${wl}$export_symbols -o $lib'
;;
esac
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}--rpath ${wl}$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic'
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive`for conv in $convenience\"\"; do test -n \"$conv\" && new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` ${wl}--no-whole-archive'
;;
cxx*)
# Compaq C++
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $wl$soname -o $lib ${wl}-retain-symbols-file $wl$export_symbols'
runpath_var=LD_RUN_PATH
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-rpath $libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
#
# There doesn't appear to be a way to prevent this compiler from
# explicitly linking system object files so we need to strip them
# from the output so that they don't get included in the library
# dependencies.
output_verbose_link_cmd='templist=`$CC -shared $CFLAGS -v conftest.$objext 2>&1 | $GREP "ld"`; templist=`func_echo_all "$templist" | $SED "s/\(^.*ld.*\)\( .*ld .*$\)/\1/"`; list=""; for z in $templist; do case $z in conftest.$objext) list="$list $z";; *.$objext);; *) list="$list $z";;esac; done; func_echo_all "X$list" | $Xsed'
;;
xl* | mpixl* | bgxl*)
# IBM XL 8.0 on PPC, with GNU ld
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}--export-dynamic'
_LT_TAGVAR(archive_cmds, $1)='$CC -qmkshrobj $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname -o $lib'
if test "x$supports_anon_versioning" = xyes; then
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $output_objdir/$libname.ver~
cat $export_symbols | sed -e "s/\(.*\)/\1;/" >> $output_objdir/$libname.ver~
echo "local: *; };" >> $output_objdir/$libname.ver~
$CC -qmkshrobj $libobjs $deplibs $compiler_flags ${wl}-soname $wl$soname ${wl}-version-script ${wl}$output_objdir/$libname.ver -o $lib'
fi
;;
*)
case `$CC -V 2>&1 | sed 5q` in
*Sun\ C*)
# Sun C++ 5.9
_LT_TAGVAR(no_undefined_flag, $1)=' -zdefs'
_LT_TAGVAR(archive_cmds, $1)='$CC -G${allow_undefined_flag} -h$soname -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -G${allow_undefined_flag} -h$soname -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-retain-symbols-file ${wl}$export_symbols'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}--whole-archive`new_convenience=; for conv in $convenience\"\"; do test -z \"$conv\" || new_convenience=\"$new_convenience,$conv\"; done; func_echo_all \"$new_convenience\"` ${wl}--no-whole-archive'
_LT_TAGVAR(compiler_needs_object, $1)=yes
# Not sure whether something based on
# $CC $CFLAGS -v conftest.$objext -o libconftest$shared_ext 2>&1
# would be better.
output_verbose_link_cmd='func_echo_all'
# Archives containing C++ object files must be created using
# "CC -xar", where "CC" is the Sun C++ compiler. This is
# necessary to make sure instantiated templates are included
# in the archive.
_LT_TAGVAR(old_archive_cmds, $1)='$CC -xar -o $oldlib $oldobjs'
;;
esac
;;
esac
;;
lynxos*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
m88k*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
mvs*)
case $cc_basename in
cxx*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
;;
netbsd*)
if echo __ELF__ | $CC -E - | $GREP __ELF__ >/dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$LD -Bshareable -o $lib $predep_objects $libobjs $deplibs $postdep_objects $linker_flags'
wlarc=
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
fi
# Workaround some broken pre-1.5 toolchains
output_verbose_link_cmd='$CC -shared $CFLAGS -v conftest.$objext 2>&1 | $GREP conftest.$objext | $SED -e "s:-lgcc -lc -lgcc::"'
;;
*nto* | *qnx*)
_LT_TAGVAR(ld_shlibs, $1)=yes
;;
openbsd2*)
# C++ shared libraries are fairly broken
_LT_TAGVAR(ld_shlibs, $1)=no
;;
openbsd*)
if test -f /usr/libexec/ld.so; then
_LT_TAGVAR(hardcode_direct, $1)=yes
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(hardcode_direct_absolute, $1)=yes
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -o $lib'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
if test -z "`echo __ELF__ | $CC -E - | grep __ELF__`" || test "$host_os-$host_cpu" = "openbsd2.8-powerpc"; then
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared $pic_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-retain-symbols-file,$export_symbols -o $lib'
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-E'
_LT_TAGVAR(whole_archive_flag_spec, $1)="$wlarc"'--whole-archive$convenience '"$wlarc"'--no-whole-archive'
fi
output_verbose_link_cmd=func_echo_all
else
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
osf3* | osf4* | osf5*)
case $cc_basename in
KCC*)
# Kuck and Associates, Inc. (KAI) C++ Compiler
# KCC will only create a shared library if the output file
# ends with ".so" (or ".sl" for HP-UX), so rename the library
# to its proper name (with version) after linking.
_LT_TAGVAR(archive_cmds, $1)='tempext=`echo $shared_ext | $SED -e '\''s/\([[^()0-9A-Za-z{}]]\)/\\\\\1/g'\''`; templib=`echo "$lib" | $SED -e "s/\${tempext}\..*/.so/"`; $CC $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags --soname $soname -o \$templib; mv \$templib $lib'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath,$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
# Archives containing C++ object files must be created using
# the KAI C++ compiler.
case $host in
osf3*) _LT_TAGVAR(old_archive_cmds, $1)='$CC -Bstatic -o $oldlib $oldobjs' ;;
*) _LT_TAGVAR(old_archive_cmds, $1)='$CC -o $oldlib $oldobjs' ;;
esac
;;
RCC*)
# Rational C++ 2.4.1
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
cxx*)
case $host in
osf3*)
_LT_TAGVAR(allow_undefined_flag, $1)=' ${wl}-expect_unresolved ${wl}\*'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared${allow_undefined_flag} $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname $soname `test -n "$verstring" && func_echo_all "${wl}-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
;;
*)
_LT_TAGVAR(allow_undefined_flag, $1)=' -expect_unresolved \*'
_LT_TAGVAR(archive_cmds, $1)='$CC -shared${allow_undefined_flag} $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -msym -soname $soname `test -n "$verstring" && func_echo_all "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='for i in `cat $export_symbols`; do printf "%s %s\\n" -exported_symbol "\$i" >> $lib.exp; done~
echo "-hidden">> $lib.exp~
$CC -shared$allow_undefined_flag $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags -msym -soname $soname ${wl}-input ${wl}$lib.exp `test -n "$verstring" && $ECHO "-set_version $verstring"` -update_registry ${output_objdir}/so_locations -o $lib~
$RM $lib.exp'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-rpath $libdir'
;;
esac
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
#
# There doesn't appear to be a way to prevent this compiler from
# explicitly linking system object files so we need to strip them
# from the output so that they don't get included in the library
# dependencies.
output_verbose_link_cmd='templist=`$CC -shared $CFLAGS -v conftest.$objext 2>&1 | $GREP "ld" | $GREP -v "ld:"`; templist=`func_echo_all "$templist" | $SED "s/\(^.*ld.*\)\( .*ld.*$\)/\1/"`; list=""; for z in $templist; do case $z in conftest.$objext) list="$list $z";; *.$objext);; *) list="$list $z";;esac; done; func_echo_all "$list"'
;;
*)
if test "$GXX" = yes && test "$with_gnu_ld" = no; then
_LT_TAGVAR(allow_undefined_flag, $1)=' ${wl}-expect_unresolved ${wl}\*'
case $host in
osf3*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared -nostdlib ${allow_undefined_flag} $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations -o $lib'
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -nostdlib ${allow_undefined_flag} $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-msym ${wl}-soname ${wl}$soname `test -n "$verstring" && func_echo_all "${wl}-set_version ${wl}$verstring"` ${wl}-update_registry ${wl}${output_objdir}/so_locations -o $lib'
;;
esac
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-rpath ${wl}$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=:
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
output_verbose_link_cmd='$CC -shared $CFLAGS -v conftest.$objext 2>&1 | $GREP -v "^Configured with:" | $GREP "\-L"'
else
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
fi
;;
esac
;;
psos*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
sunos4*)
case $cc_basename in
CC*)
# Sun C++ 4.x
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
lcc*)
# Lucid
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
;;
solaris*)
case $cc_basename in
CC* | sunCC*)
# Sun C++ 4.2, 5.x and Centerline C++
_LT_TAGVAR(archive_cmds_need_lc,$1)=yes
_LT_TAGVAR(no_undefined_flag, $1)=' -zdefs'
_LT_TAGVAR(archive_cmds, $1)='$CC -G${allow_undefined_flag} -h$soname -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $lib.exp~cat $export_symbols | $SED -e "s/\(.*\)/\1;/" >> $lib.exp~echo "local: *; };" >> $lib.exp~
$CC -G${allow_undefined_flag} ${wl}-M ${wl}$lib.exp -h$soname -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags~$RM $lib.exp'
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='-R$libdir'
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
case $host_os in
solaris2.[[0-5]] | solaris2.[[0-5]].*) ;;
*)
# The compiler driver will combine and reorder linker options,
# but understands `-z linker_flag'.
# Supported since Solaris 2.6 (maybe 2.5.1?)
_LT_TAGVAR(whole_archive_flag_spec, $1)='-z allextract$convenience -z defaultextract'
;;
esac
_LT_TAGVAR(link_all_deplibs, $1)=yes
output_verbose_link_cmd='func_echo_all'
# Archives containing C++ object files must be created using
# "CC -xar", where "CC" is the Sun C++ compiler. This is
# necessary to make sure instantiated templates are included
# in the archive.
_LT_TAGVAR(old_archive_cmds, $1)='$CC -xar -o $oldlib $oldobjs'
;;
gcx*)
# Green Hills C++ Compiler
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-h $wl$soname -o $lib'
# The C++ compiler must be used to create the archive.
_LT_TAGVAR(old_archive_cmds, $1)='$CC $LDFLAGS -archive -o $oldlib $oldobjs'
;;
*)
# GNU C++ compiler with Solaris linker
if test "$GXX" = yes && test "$with_gnu_ld" = no; then
_LT_TAGVAR(no_undefined_flag, $1)=' ${wl}-z ${wl}defs'
if $CC --version | $GREP -v '^2\.7' > /dev/null; then
_LT_TAGVAR(archive_cmds, $1)='$CC -shared $pic_flag -nostdlib $LDFLAGS $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-h $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $lib.exp~cat $export_symbols | $SED -e "s/\(.*\)/\1;/" >> $lib.exp~echo "local: *; };" >> $lib.exp~
$CC -shared $pic_flag -nostdlib ${wl}-M $wl$lib.exp -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags~$RM $lib.exp'
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
output_verbose_link_cmd='$CC -shared $CFLAGS -v conftest.$objext 2>&1 | $GREP -v "^Configured with:" | $GREP "\-L"'
else
# g++ 2.7 appears to require `-G' NOT `-shared' on this
# platform.
_LT_TAGVAR(archive_cmds, $1)='$CC -G -nostdlib $LDFLAGS $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags ${wl}-h $wl$soname -o $lib'
_LT_TAGVAR(archive_expsym_cmds, $1)='echo "{ global:" > $lib.exp~cat $export_symbols | $SED -e "s/\(.*\)/\1;/" >> $lib.exp~echo "local: *; };" >> $lib.exp~
$CC -G -nostdlib ${wl}-M $wl$lib.exp -o $lib $predep_objects $libobjs $deplibs $postdep_objects $compiler_flags~$RM $lib.exp'
# Commands to make compiler produce verbose output that lists
# what "hidden" libraries, object files and flags are used when
# linking a shared library.
output_verbose_link_cmd='$CC -G $CFLAGS -v conftest.$objext 2>&1 | $GREP -v "^Configured with:" | $GREP "\-L"'
fi
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-R $wl$libdir'
case $host_os in
solaris2.[[0-5]] | solaris2.[[0-5]].*) ;;
*)
_LT_TAGVAR(whole_archive_flag_spec, $1)='${wl}-z ${wl}allextract$convenience ${wl}-z ${wl}defaultextract'
;;
esac
fi
;;
esac
;;
sysv4*uw2* | sysv5OpenUNIX* | sysv5UnixWare7.[[01]].[[10]]* | unixware7* | sco3.2v5.0.[[024]]*)
_LT_TAGVAR(no_undefined_flag, $1)='${wl}-z,text'
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
runpath_var='LD_RUN_PATH'
case $cc_basename in
CC*)
_LT_TAGVAR(archive_cmds, $1)='$CC -G ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -G ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
;;
esac
;;
sysv5* | sco3.2v5* | sco5v6*)
# Note: We can NOT use -z defs as we might desire, because we do not
# link with -lc, and that would cause any symbols used from libc to
# always be unresolved, which means just about no library would
# ever link correctly. If we're not using GNU ld we use -z text
# though, which does catch some bad symbols but isn't as heavy-handed
# as -z defs.
_LT_TAGVAR(no_undefined_flag, $1)='${wl}-z,text'
_LT_TAGVAR(allow_undefined_flag, $1)='${wl}-z,nodefs'
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(hardcode_shlibpath_var, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)='${wl}-R,$libdir'
_LT_TAGVAR(hardcode_libdir_separator, $1)=':'
_LT_TAGVAR(link_all_deplibs, $1)=yes
_LT_TAGVAR(export_dynamic_flag_spec, $1)='${wl}-Bexport'
runpath_var='LD_RUN_PATH'
case $cc_basename in
CC*)
_LT_TAGVAR(archive_cmds, $1)='$CC -G ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -G ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(old_archive_cmds, $1)='$CC -Tprelink_objects $oldobjs~
'"$_LT_TAGVAR(old_archive_cmds, $1)"
_LT_TAGVAR(reload_cmds, $1)='$CC -Tprelink_objects $reload_objs~
'"$_LT_TAGVAR(reload_cmds, $1)"
;;
*)
_LT_TAGVAR(archive_cmds, $1)='$CC -shared ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
_LT_TAGVAR(archive_expsym_cmds, $1)='$CC -shared ${wl}-Bexport:$export_symbols ${wl}-h,$soname -o $lib $libobjs $deplibs $compiler_flags'
;;
esac
;;
tandem*)
case $cc_basename in
NCC*)
# NonStop-UX NCC 3.20
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
;;
vxworks*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
*)
# FIXME: insert proper C++ library support
_LT_TAGVAR(ld_shlibs, $1)=no
;;
esac
AC_MSG_RESULT([$_LT_TAGVAR(ld_shlibs, $1)])
test "$_LT_TAGVAR(ld_shlibs, $1)" = no && can_build_shared=no
_LT_TAGVAR(GCC, $1)="$GXX"
_LT_TAGVAR(LD, $1)="$LD"
## CAVEAT EMPTOR:
## There is no encapsulation within the following macros, do not change
## the running order or otherwise move them around unless you know exactly
## what you are doing...
_LT_SYS_HIDDEN_LIBDEPS($1)
_LT_COMPILER_PIC($1)
_LT_COMPILER_C_O($1)
_LT_COMPILER_FILE_LOCKS($1)
_LT_LINKER_SHLIBS($1)
_LT_SYS_DYNAMIC_LINKER($1)
_LT_LINKER_HARDCODE_LIBPATH($1)
_LT_CONFIG($1)
fi # test -n "$compiler"
CC=$lt_save_CC
CFLAGS=$lt_save_CFLAGS
LDCXX=$LD
LD=$lt_save_LD
GCC=$lt_save_GCC
with_gnu_ld=$lt_save_with_gnu_ld
lt_cv_path_LDCXX=$lt_cv_path_LD
lt_cv_path_LD=$lt_save_path_LD
lt_cv_prog_gnu_ldcxx=$lt_cv_prog_gnu_ld
lt_cv_prog_gnu_ld=$lt_save_with_gnu_ld
fi # test "$_lt_caught_CXX_error" != yes
AC_LANG_POP
])# _LT_LANG_CXX_CONFIG
# _LT_FUNC_STRIPNAME_CNF
# ----------------------
# func_stripname_cnf prefix suffix name
# strip PREFIX and SUFFIX off of NAME.
# PREFIX and SUFFIX must not contain globbing or regex special
# characters, hashes, percent signs, but SUFFIX may contain a leading
# dot (in which case that matches only a dot).
#
# This function is identical to the (non-XSI) version of func_stripname,
# except this one can be used by m4 code that may be executed by configure,
# rather than the libtool script.
m4_defun([_LT_FUNC_STRIPNAME_CNF],[dnl
AC_REQUIRE([_LT_DECL_SED])
AC_REQUIRE([_LT_PROG_ECHO_BACKSLASH])
func_stripname_cnf ()
{
case ${2} in
.*) func_stripname_result=`$ECHO "${3}" | $SED "s%^${1}%%; s%\\\\${2}\$%%"`;;
*) func_stripname_result=`$ECHO "${3}" | $SED "s%^${1}%%; s%${2}\$%%"`;;
esac
} # func_stripname_cnf
])# _LT_FUNC_STRIPNAME_CNF
# _LT_SYS_HIDDEN_LIBDEPS([TAGNAME])
# ---------------------------------
# Figure out "hidden" library dependencies from verbose
# compiler output when linking a shared library.
# Parse the compiler output and extract the necessary
# objects, libraries and library flags.
m4_defun([_LT_SYS_HIDDEN_LIBDEPS],
[m4_require([_LT_FILEUTILS_DEFAULTS])dnl
AC_REQUIRE([_LT_FUNC_STRIPNAME_CNF])dnl
# Dependencies to place before and after the object being linked:
_LT_TAGVAR(predep_objects, $1)=
_LT_TAGVAR(postdep_objects, $1)=
_LT_TAGVAR(predeps, $1)=
_LT_TAGVAR(postdeps, $1)=
_LT_TAGVAR(compiler_lib_search_path, $1)=
dnl we can't use the lt_simple_compile_test_code here,
dnl because it contains code intended for an executable,
dnl not a library. It's possible we should let each
dnl tag define a new lt_????_link_test_code variable,
dnl but it's only used here...
m4_if([$1], [], [cat > conftest.$ac_ext <<_LT_EOF
int a;
void foo (void) { a = 0; }
_LT_EOF
], [$1], [CXX], [cat > conftest.$ac_ext <<_LT_EOF
class Foo
{
public:
Foo (void) { a = 0; }
private:
int a;
};
_LT_EOF
], [$1], [F77], [cat > conftest.$ac_ext <<_LT_EOF
subroutine foo
implicit none
integer*4 a
a=0
return
end
_LT_EOF
], [$1], [FC], [cat > conftest.$ac_ext <<_LT_EOF
subroutine foo
implicit none
integer a
a=0
return
end
_LT_EOF
], [$1], [GCJ], [cat > conftest.$ac_ext <<_LT_EOF
public class foo {
private int a;
public void bar (void) {
a = 0;
}
};
_LT_EOF
], [$1], [GO], [cat > conftest.$ac_ext <<_LT_EOF
package foo
func foo() {
}
_LT_EOF
])
_lt_libdeps_save_CFLAGS=$CFLAGS
case "$CC $CFLAGS " in #(
*\ -flto*\ *) CFLAGS="$CFLAGS -fno-lto" ;;
*\ -fwhopr*\ *) CFLAGS="$CFLAGS -fno-whopr" ;;
*\ -fuse-linker-plugin*\ *) CFLAGS="$CFLAGS -fno-use-linker-plugin" ;;
esac
dnl Parse the compiler output and extract the necessary
dnl objects, libraries and library flags.
if AC_TRY_EVAL(ac_compile); then
# Parse the compiler output and extract the necessary
# objects, libraries and library flags.
# Sentinel used to keep track of whether or not we are before
# the conftest object file.
pre_test_object_deps_done=no
for p in `eval "$output_verbose_link_cmd"`; do
case ${prev}${p} in
-L* | -R* | -l*)
# Some compilers place space between "-{L,R}" and the path.
# Remove the space.
if test $p = "-L" ||
test $p = "-R"; then
prev=$p
continue
fi
# Expand the sysroot to ease extracting the directories later.
if test -z "$prev"; then
case $p in
-L*) func_stripname_cnf '-L' '' "$p"; prev=-L; p=$func_stripname_result ;;
-R*) func_stripname_cnf '-R' '' "$p"; prev=-R; p=$func_stripname_result ;;
-l*) func_stripname_cnf '-l' '' "$p"; prev=-l; p=$func_stripname_result ;;
esac
fi
case $p in
=*) func_stripname_cnf '=' '' "$p"; p=$lt_sysroot$func_stripname_result ;;
esac
if test "$pre_test_object_deps_done" = no; then
case ${prev} in
-L | -R)
# Internal compiler library paths should come after those
# provided the user. The postdeps already come after the
# user supplied libs so there is no need to process them.
if test -z "$_LT_TAGVAR(compiler_lib_search_path, $1)"; then
_LT_TAGVAR(compiler_lib_search_path, $1)="${prev}${p}"
else
_LT_TAGVAR(compiler_lib_search_path, $1)="${_LT_TAGVAR(compiler_lib_search_path, $1)} ${prev}${p}"
fi
;;
# The "-l" case would never come before the object being
# linked, so don't bother handling this case.
esac
else
if test -z "$_LT_TAGVAR(postdeps, $1)"; then
_LT_TAGVAR(postdeps, $1)="${prev}${p}"
else
_LT_TAGVAR(postdeps, $1)="${_LT_TAGVAR(postdeps, $1)} ${prev}${p}"
fi
fi
prev=
;;
*.lto.$objext) ;; # Ignore GCC LTO objects
*.$objext)
# This assumes that the test object file only shows up
# once in the compiler output.
if test "$p" = "conftest.$objext"; then
pre_test_object_deps_done=yes
continue
fi
if test "$pre_test_object_deps_done" = no; then
if test -z "$_LT_TAGVAR(predep_objects, $1)"; then
_LT_TAGVAR(predep_objects, $1)="$p"
else
_LT_TAGVAR(predep_objects, $1)="$_LT_TAGVAR(predep_objects, $1) $p"
fi
else
if test -z "$_LT_TAGVAR(postdep_objects, $1)"; then
_LT_TAGVAR(postdep_objects, $1)="$p"
else
_LT_TAGVAR(postdep_objects, $1)="$_LT_TAGVAR(postdep_objects, $1) $p"
fi
fi
;;
*) ;; # Ignore the rest.
esac
done
# Clean up.
rm -f a.out a.exe
else
echo "libtool.m4: error: problem compiling $1 test program"
fi
$RM -f confest.$objext
CFLAGS=$_lt_libdeps_save_CFLAGS
# PORTME: override above test on systems where it is broken
m4_if([$1], [CXX],
[case $host_os in
interix[[3-9]]*)
# Interix 3.5 installs completely hosed .la files for C++, so rather than
# hack all around it, let's just trust "g++" to DTRT.
_LT_TAGVAR(predep_objects,$1)=
_LT_TAGVAR(postdep_objects,$1)=
_LT_TAGVAR(postdeps,$1)=
;;
linux*)
case `$CC -V 2>&1 | sed 5q` in
*Sun\ C*)
# Sun C++ 5.9
# The more standards-conforming stlport4 library is
# incompatible with the Cstd library. Avoid specifying
# it if it's in CXXFLAGS. Ignore libCrun as
# -library=stlport4 depends on it.
case " $CXX $CXXFLAGS " in
*" -library=stlport4 "*)
solaris_use_stlport4=yes
;;
esac
if test "$solaris_use_stlport4" != yes; then
_LT_TAGVAR(postdeps,$1)='-library=Cstd -library=Crun'
fi
;;
esac
;;
solaris*)
case $cc_basename in
CC* | sunCC*)
# The more standards-conforming stlport4 library is
# incompatible with the Cstd library. Avoid specifying
# it if it's in CXXFLAGS. Ignore libCrun as
# -library=stlport4 depends on it.
case " $CXX $CXXFLAGS " in
*" -library=stlport4 "*)
solaris_use_stlport4=yes
;;
esac
# Adding this requires a known-good setup of shared libraries for
# Sun compiler versions before 5.6, else PIC objects from an old
# archive will be linked into the output, leading to subtle bugs.
if test "$solaris_use_stlport4" != yes; then
_LT_TAGVAR(postdeps,$1)='-library=Cstd -library=Crun'
fi
;;
esac
;;
esac
])
case " $_LT_TAGVAR(postdeps, $1) " in
*" -lc "*) _LT_TAGVAR(archive_cmds_need_lc, $1)=no ;;
esac
_LT_TAGVAR(compiler_lib_search_dirs, $1)=
if test -n "${_LT_TAGVAR(compiler_lib_search_path, $1)}"; then
_LT_TAGVAR(compiler_lib_search_dirs, $1)=`echo " ${_LT_TAGVAR(compiler_lib_search_path, $1)}" | ${SED} -e 's! -L! !g' -e 's!^ !!'`
fi
_LT_TAGDECL([], [compiler_lib_search_dirs], [1],
[The directories searched by this compiler when creating a shared library])
_LT_TAGDECL([], [predep_objects], [1],
[Dependencies to place before and after the objects being linked to
create a shared library])
_LT_TAGDECL([], [postdep_objects], [1])
_LT_TAGDECL([], [predeps], [1])
_LT_TAGDECL([], [postdeps], [1])
_LT_TAGDECL([], [compiler_lib_search_path], [1],
[The library search path used internally by the compiler when linking
a shared library])
])# _LT_SYS_HIDDEN_LIBDEPS
# _LT_LANG_F77_CONFIG([TAG])
# --------------------------
# Ensure that the configuration variables for a Fortran 77 compiler are
# suitably defined. These variables are subsequently used by _LT_CONFIG
# to write the compiler configuration to `libtool'.
m4_defun([_LT_LANG_F77_CONFIG],
[AC_LANG_PUSH(Fortran 77)
if test -z "$F77" || test "X$F77" = "Xno"; then
_lt_disable_F77=yes
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(allow_undefined_flag, $1)=
_LT_TAGVAR(always_export_symbols, $1)=no
_LT_TAGVAR(archive_expsym_cmds, $1)=
_LT_TAGVAR(export_dynamic_flag_spec, $1)=
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_direct_absolute, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=
_LT_TAGVAR(hardcode_libdir_separator, $1)=
_LT_TAGVAR(hardcode_minus_L, $1)=no
_LT_TAGVAR(hardcode_automatic, $1)=no
_LT_TAGVAR(inherit_rpath, $1)=no
_LT_TAGVAR(module_cmds, $1)=
_LT_TAGVAR(module_expsym_cmds, $1)=
_LT_TAGVAR(link_all_deplibs, $1)=unknown
_LT_TAGVAR(old_archive_cmds, $1)=$old_archive_cmds
_LT_TAGVAR(reload_flag, $1)=$reload_flag
_LT_TAGVAR(reload_cmds, $1)=$reload_cmds
_LT_TAGVAR(no_undefined_flag, $1)=
_LT_TAGVAR(whole_archive_flag_spec, $1)=
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=no
# Source file extension for f77 test sources.
ac_ext=f
# Object file extension for compiled f77 test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# No sense in running all these tests if we already determined that
# the F77 compiler isn't working. Some variables (like enable_shared)
# are currently assumed to apply to all compilers on this platform,
# and will be corrupted by setting them based on a non-working compiler.
if test "$_lt_disable_F77" != yes; then
# Code to be used in simple compile tests
lt_simple_compile_test_code="\
subroutine t
return
end
"
# Code to be used in simple link tests
lt_simple_link_test_code="\
program t
end
"
# ltmain only uses $CC for tagged configurations so make sure $CC is set.
_LT_TAG_COMPILER
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
# Allow CC to be a program name with arguments.
lt_save_CC="$CC"
lt_save_GCC=$GCC
lt_save_CFLAGS=$CFLAGS
CC=${F77-"f77"}
CFLAGS=$FFLAGS
compiler=$CC
_LT_TAGVAR(compiler, $1)=$CC
_LT_CC_BASENAME([$compiler])
GCC=$G77
if test -n "$compiler"; then
AC_MSG_CHECKING([if libtool supports shared libraries])
AC_MSG_RESULT([$can_build_shared])
AC_MSG_CHECKING([whether to build shared libraries])
test "$can_build_shared" = "no" && enable_shared=no
# On AIX, shared libraries and static libraries use the same namespace, and
# are all built from PIC.
case $host_os in
aix3*)
test "$enable_shared" = yes && enable_static=no
if test -n "$RANLIB"; then
archive_cmds="$archive_cmds~\$RANLIB \$lib"
postinstall_cmds='$RANLIB $lib'
fi
;;
aix[[4-9]]*)
if test "$host_cpu" != ia64 && test "$aix_use_runtimelinking" = no ; then
test "$enable_shared" = yes && enable_static=no
fi
;;
esac
AC_MSG_RESULT([$enable_shared])
AC_MSG_CHECKING([whether to build static libraries])
# Make sure either enable_shared or enable_static is yes.
test "$enable_shared" = yes || enable_static=yes
AC_MSG_RESULT([$enable_static])
_LT_TAGVAR(GCC, $1)="$G77"
_LT_TAGVAR(LD, $1)="$LD"
## CAVEAT EMPTOR:
## There is no encapsulation within the following macros, do not change
## the running order or otherwise move them around unless you know exactly
## what you are doing...
_LT_COMPILER_PIC($1)
_LT_COMPILER_C_O($1)
_LT_COMPILER_FILE_LOCKS($1)
_LT_LINKER_SHLIBS($1)
_LT_SYS_DYNAMIC_LINKER($1)
_LT_LINKER_HARDCODE_LIBPATH($1)
_LT_CONFIG($1)
fi # test -n "$compiler"
GCC=$lt_save_GCC
CC="$lt_save_CC"
CFLAGS="$lt_save_CFLAGS"
fi # test "$_lt_disable_F77" != yes
AC_LANG_POP
])# _LT_LANG_F77_CONFIG
# _LT_LANG_FC_CONFIG([TAG])
# -------------------------
# Ensure that the configuration variables for a Fortran compiler are
# suitably defined. These variables are subsequently used by _LT_CONFIG
# to write the compiler configuration to `libtool'.
m4_defun([_LT_LANG_FC_CONFIG],
[AC_LANG_PUSH(Fortran)
if test -z "$FC" || test "X$FC" = "Xno"; then
_lt_disable_FC=yes
fi
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(allow_undefined_flag, $1)=
_LT_TAGVAR(always_export_symbols, $1)=no
_LT_TAGVAR(archive_expsym_cmds, $1)=
_LT_TAGVAR(export_dynamic_flag_spec, $1)=
_LT_TAGVAR(hardcode_direct, $1)=no
_LT_TAGVAR(hardcode_direct_absolute, $1)=no
_LT_TAGVAR(hardcode_libdir_flag_spec, $1)=
_LT_TAGVAR(hardcode_libdir_separator, $1)=
_LT_TAGVAR(hardcode_minus_L, $1)=no
_LT_TAGVAR(hardcode_automatic, $1)=no
_LT_TAGVAR(inherit_rpath, $1)=no
_LT_TAGVAR(module_cmds, $1)=
_LT_TAGVAR(module_expsym_cmds, $1)=
_LT_TAGVAR(link_all_deplibs, $1)=unknown
_LT_TAGVAR(old_archive_cmds, $1)=$old_archive_cmds
_LT_TAGVAR(reload_flag, $1)=$reload_flag
_LT_TAGVAR(reload_cmds, $1)=$reload_cmds
_LT_TAGVAR(no_undefined_flag, $1)=
_LT_TAGVAR(whole_archive_flag_spec, $1)=
_LT_TAGVAR(enable_shared_with_static_runtimes, $1)=no
# Source file extension for fc test sources.
ac_ext=${ac_fc_srcext-f}
# Object file extension for compiled fc test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# No sense in running all these tests if we already determined that
# the FC compiler isn't working. Some variables (like enable_shared)
# are currently assumed to apply to all compilers on this platform,
# and will be corrupted by setting them based on a non-working compiler.
if test "$_lt_disable_FC" != yes; then
# Code to be used in simple compile tests
lt_simple_compile_test_code="\
subroutine t
return
end
"
# Code to be used in simple link tests
lt_simple_link_test_code="\
program t
end
"
# ltmain only uses $CC for tagged configurations so make sure $CC is set.
_LT_TAG_COMPILER
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
# Allow CC to be a program name with arguments.
lt_save_CC="$CC"
lt_save_GCC=$GCC
lt_save_CFLAGS=$CFLAGS
CC=${FC-"f95"}
CFLAGS=$FCFLAGS
compiler=$CC
GCC=$ac_cv_fc_compiler_gnu
_LT_TAGVAR(compiler, $1)=$CC
_LT_CC_BASENAME([$compiler])
if test -n "$compiler"; then
AC_MSG_CHECKING([if libtool supports shared libraries])
AC_MSG_RESULT([$can_build_shared])
AC_MSG_CHECKING([whether to build shared libraries])
test "$can_build_shared" = "no" && enable_shared=no
# On AIX, shared libraries and static libraries use the same namespace, and
# are all built from PIC.
case $host_os in
aix3*)
test "$enable_shared" = yes && enable_static=no
if test -n "$RANLIB"; then
archive_cmds="$archive_cmds~\$RANLIB \$lib"
postinstall_cmds='$RANLIB $lib'
fi
;;
aix[[4-9]]*)
if test "$host_cpu" != ia64 && test "$aix_use_runtimelinking" = no ; then
test "$enable_shared" = yes && enable_static=no
fi
;;
esac
AC_MSG_RESULT([$enable_shared])
AC_MSG_CHECKING([whether to build static libraries])
# Make sure either enable_shared or enable_static is yes.
test "$enable_shared" = yes || enable_static=yes
AC_MSG_RESULT([$enable_static])
_LT_TAGVAR(GCC, $1)="$ac_cv_fc_compiler_gnu"
_LT_TAGVAR(LD, $1)="$LD"
## CAVEAT EMPTOR:
## There is no encapsulation within the following macros, do not change
## the running order or otherwise move them around unless you know exactly
## what you are doing...
_LT_SYS_HIDDEN_LIBDEPS($1)
_LT_COMPILER_PIC($1)
_LT_COMPILER_C_O($1)
_LT_COMPILER_FILE_LOCKS($1)
_LT_LINKER_SHLIBS($1)
_LT_SYS_DYNAMIC_LINKER($1)
_LT_LINKER_HARDCODE_LIBPATH($1)
_LT_CONFIG($1)
fi # test -n "$compiler"
GCC=$lt_save_GCC
CC=$lt_save_CC
CFLAGS=$lt_save_CFLAGS
fi # test "$_lt_disable_FC" != yes
AC_LANG_POP
])# _LT_LANG_FC_CONFIG
# _LT_LANG_GCJ_CONFIG([TAG])
# --------------------------
# Ensure that the configuration variables for the GNU Java Compiler compiler
# are suitably defined. These variables are subsequently used by _LT_CONFIG
# to write the compiler configuration to `libtool'.
m4_defun([_LT_LANG_GCJ_CONFIG],
[AC_REQUIRE([LT_PROG_GCJ])dnl
AC_LANG_SAVE
# Source file extension for Java test sources.
ac_ext=java
# Object file extension for compiled Java test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# Code to be used in simple compile tests
lt_simple_compile_test_code="class foo {}"
# Code to be used in simple link tests
lt_simple_link_test_code='public class conftest { public static void main(String[[]] argv) {}; }'
# ltmain only uses $CC for tagged configurations so make sure $CC is set.
_LT_TAG_COMPILER
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
# Allow CC to be a program name with arguments.
lt_save_CC=$CC
lt_save_CFLAGS=$CFLAGS
lt_save_GCC=$GCC
GCC=yes
CC=${GCJ-"gcj"}
CFLAGS=$GCJFLAGS
compiler=$CC
_LT_TAGVAR(compiler, $1)=$CC
_LT_TAGVAR(LD, $1)="$LD"
_LT_CC_BASENAME([$compiler])
# GCJ did not exist at the time GCC didn't implicitly link libc in.
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(old_archive_cmds, $1)=$old_archive_cmds
_LT_TAGVAR(reload_flag, $1)=$reload_flag
_LT_TAGVAR(reload_cmds, $1)=$reload_cmds
## CAVEAT EMPTOR:
## There is no encapsulation within the following macros, do not change
## the running order or otherwise move them around unless you know exactly
## what you are doing...
if test -n "$compiler"; then
_LT_COMPILER_NO_RTTI($1)
_LT_COMPILER_PIC($1)
_LT_COMPILER_C_O($1)
_LT_COMPILER_FILE_LOCKS($1)
_LT_LINKER_SHLIBS($1)
_LT_LINKER_HARDCODE_LIBPATH($1)
_LT_CONFIG($1)
fi
AC_LANG_RESTORE
GCC=$lt_save_GCC
CC=$lt_save_CC
CFLAGS=$lt_save_CFLAGS
])# _LT_LANG_GCJ_CONFIG
# _LT_LANG_GO_CONFIG([TAG])
# --------------------------
# Ensure that the configuration variables for the GNU Go compiler
# are suitably defined. These variables are subsequently used by _LT_CONFIG
# to write the compiler configuration to `libtool'.
m4_defun([_LT_LANG_GO_CONFIG],
[AC_REQUIRE([LT_PROG_GO])dnl
AC_LANG_SAVE
# Source file extension for Go test sources.
ac_ext=go
# Object file extension for compiled Go test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# Code to be used in simple compile tests
lt_simple_compile_test_code="package main; func main() { }"
# Code to be used in simple link tests
lt_simple_link_test_code='package main; func main() { }'
# ltmain only uses $CC for tagged configurations so make sure $CC is set.
_LT_TAG_COMPILER
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
# Allow CC to be a program name with arguments.
lt_save_CC=$CC
lt_save_CFLAGS=$CFLAGS
lt_save_GCC=$GCC
GCC=yes
CC=${GOC-"gccgo"}
CFLAGS=$GOFLAGS
compiler=$CC
_LT_TAGVAR(compiler, $1)=$CC
_LT_TAGVAR(LD, $1)="$LD"
_LT_CC_BASENAME([$compiler])
# Go did not exist at the time GCC didn't implicitly link libc in.
_LT_TAGVAR(archive_cmds_need_lc, $1)=no
_LT_TAGVAR(old_archive_cmds, $1)=$old_archive_cmds
_LT_TAGVAR(reload_flag, $1)=$reload_flag
_LT_TAGVAR(reload_cmds, $1)=$reload_cmds
## CAVEAT EMPTOR:
## There is no encapsulation within the following macros, do not change
## the running order or otherwise move them around unless you know exactly
## what you are doing...
if test -n "$compiler"; then
_LT_COMPILER_NO_RTTI($1)
_LT_COMPILER_PIC($1)
_LT_COMPILER_C_O($1)
_LT_COMPILER_FILE_LOCKS($1)
_LT_LINKER_SHLIBS($1)
_LT_LINKER_HARDCODE_LIBPATH($1)
_LT_CONFIG($1)
fi
AC_LANG_RESTORE
GCC=$lt_save_GCC
CC=$lt_save_CC
CFLAGS=$lt_save_CFLAGS
])# _LT_LANG_GO_CONFIG
# _LT_LANG_RC_CONFIG([TAG])
# -------------------------
# Ensure that the configuration variables for the Windows resource compiler
# are suitably defined. These variables are subsequently used by _LT_CONFIG
# to write the compiler configuration to `libtool'.
m4_defun([_LT_LANG_RC_CONFIG],
[AC_REQUIRE([LT_PROG_RC])dnl
AC_LANG_SAVE
# Source file extension for RC test sources.
ac_ext=rc
# Object file extension for compiled RC test sources.
objext=o
_LT_TAGVAR(objext, $1)=$objext
# Code to be used in simple compile tests
lt_simple_compile_test_code='sample MENU { MENUITEM "&Soup", 100, CHECKED }'
# Code to be used in simple link tests
lt_simple_link_test_code="$lt_simple_compile_test_code"
# ltmain only uses $CC for tagged configurations so make sure $CC is set.
_LT_TAG_COMPILER
# save warnings/boilerplate of simple test code
_LT_COMPILER_BOILERPLATE
_LT_LINKER_BOILERPLATE
# Allow CC to be a program name with arguments.
lt_save_CC="$CC"
lt_save_CFLAGS=$CFLAGS
lt_save_GCC=$GCC
GCC=
CC=${RC-"windres"}
CFLAGS=
compiler=$CC
_LT_TAGVAR(compiler, $1)=$CC
_LT_CC_BASENAME([$compiler])
_LT_TAGVAR(lt_cv_prog_compiler_c_o, $1)=yes
if test -n "$compiler"; then
:
_LT_CONFIG($1)
fi
GCC=$lt_save_GCC
AC_LANG_RESTORE
CC=$lt_save_CC
CFLAGS=$lt_save_CFLAGS
])# _LT_LANG_RC_CONFIG
# LT_PROG_GCJ
# -----------
AC_DEFUN([LT_PROG_GCJ],
[m4_ifdef([AC_PROG_GCJ], [AC_PROG_GCJ],
[m4_ifdef([A][M_PROG_GCJ], [A][M_PROG_GCJ],
[AC_CHECK_TOOL(GCJ, gcj,)
test "x${GCJFLAGS+set}" = xset || GCJFLAGS="-g -O2"
AC_SUBST(GCJFLAGS)])])[]dnl
])
# Old name:
AU_ALIAS([LT_AC_PROG_GCJ], [LT_PROG_GCJ])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([LT_AC_PROG_GCJ], [])
# LT_PROG_GO
# ----------
AC_DEFUN([LT_PROG_GO],
[AC_CHECK_TOOL(GOC, gccgo,)
])
# LT_PROG_RC
# ----------
AC_DEFUN([LT_PROG_RC],
[AC_CHECK_TOOL(RC, windres,)
])
# Old name:
AU_ALIAS([LT_AC_PROG_RC], [LT_PROG_RC])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([LT_AC_PROG_RC], [])
# _LT_DECL_EGREP
# --------------
# If we don't have a new enough Autoconf to choose the best grep
# available, choose the one first in the user's PATH.
m4_defun([_LT_DECL_EGREP],
[AC_REQUIRE([AC_PROG_EGREP])dnl
AC_REQUIRE([AC_PROG_FGREP])dnl
test -z "$GREP" && GREP=grep
_LT_DECL([], [GREP], [1], [A grep program that handles long lines])
_LT_DECL([], [EGREP], [1], [An ERE matcher])
_LT_DECL([], [FGREP], [1], [A literal string matcher])
dnl Non-bleeding-edge autoconf doesn't subst GREP, so do it here too
AC_SUBST([GREP])
])
# _LT_DECL_OBJDUMP
# --------------
# If we don't have a new enough Autoconf to choose the best objdump
# available, choose the one first in the user's PATH.
m4_defun([_LT_DECL_OBJDUMP],
[AC_CHECK_TOOL(OBJDUMP, objdump, false)
test -z "$OBJDUMP" && OBJDUMP=objdump
_LT_DECL([], [OBJDUMP], [1], [An object symbol dumper])
AC_SUBST([OBJDUMP])
])
# _LT_DECL_DLLTOOL
# ----------------
# Ensure DLLTOOL variable is set.
m4_defun([_LT_DECL_DLLTOOL],
[AC_CHECK_TOOL(DLLTOOL, dlltool, false)
test -z "$DLLTOOL" && DLLTOOL=dlltool
_LT_DECL([], [DLLTOOL], [1], [DLL creation program])
AC_SUBST([DLLTOOL])
])
# _LT_DECL_SED
# ------------
# Check for a fully-functional sed program, that truncates
# as few characters as possible. Prefer GNU sed if found.
m4_defun([_LT_DECL_SED],
[AC_PROG_SED
test -z "$SED" && SED=sed
Xsed="$SED -e 1s/^X//"
_LT_DECL([], [SED], [1], [A sed program that does not truncate output])
_LT_DECL([], [Xsed], ["\$SED -e 1s/^X//"],
[Sed that helps us avoid accidentally triggering echo(1) options like -n])
])# _LT_DECL_SED
m4_ifndef([AC_PROG_SED], [
############################################################
# NOTE: This macro has been submitted for inclusion into #
# GNU Autoconf as AC_PROG_SED. When it is available in #
# a released version of Autoconf we should remove this #
# macro and use it instead. #
############################################################
m4_defun([AC_PROG_SED],
[AC_MSG_CHECKING([for a sed that does not truncate output])
AC_CACHE_VAL(lt_cv_path_SED,
[# Loop through the user's path and test for sed and gsed.
# Then use that list of sed's as ones to test for truncation.
as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
for as_dir in $PATH
do
IFS=$as_save_IFS
test -z "$as_dir" && as_dir=.
for lt_ac_prog in sed gsed; do
for ac_exec_ext in '' $ac_executable_extensions; do
if $as_executable_p "$as_dir/$lt_ac_prog$ac_exec_ext"; then
lt_ac_sed_list="$lt_ac_sed_list $as_dir/$lt_ac_prog$ac_exec_ext"
fi
done
done
done
IFS=$as_save_IFS
lt_ac_max=0
lt_ac_count=0
# Add /usr/xpg4/bin/sed as it is typically found on Solaris
# along with /bin/sed that truncates output.
for lt_ac_sed in $lt_ac_sed_list /usr/xpg4/bin/sed; do
test ! -f $lt_ac_sed && continue
cat /dev/null > conftest.in
lt_ac_count=0
echo $ECHO_N "0123456789$ECHO_C" >conftest.in
# Check for GNU sed and select it if it is found.
if "$lt_ac_sed" --version 2>&1 < /dev/null | grep 'GNU' > /dev/null; then
lt_cv_path_SED=$lt_ac_sed
break
fi
while true; do
cat conftest.in conftest.in >conftest.tmp
mv conftest.tmp conftest.in
cp conftest.in conftest.nl
echo >>conftest.nl
$lt_ac_sed -e 's/a$//' < conftest.nl >conftest.out || break
cmp -s conftest.out conftest.nl || break
# 10000 chars as input seems more than enough
test $lt_ac_count -gt 10 && break
lt_ac_count=`expr $lt_ac_count + 1`
if test $lt_ac_count -gt $lt_ac_max; then
lt_ac_max=$lt_ac_count
lt_cv_path_SED=$lt_ac_sed
fi
done
done
])
SED=$lt_cv_path_SED
AC_SUBST([SED])
AC_MSG_RESULT([$SED])
])#AC_PROG_SED
])#m4_ifndef
# Old name:
AU_ALIAS([LT_AC_PROG_SED], [AC_PROG_SED])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([LT_AC_PROG_SED], [])
# _LT_CHECK_SHELL_FEATURES
# ------------------------
# Find out whether the shell is Bourne or XSI compatible,
# or has some other useful features.
m4_defun([_LT_CHECK_SHELL_FEATURES],
[AC_MSG_CHECKING([whether the shell understands some XSI constructs])
# Try some XSI features
xsi_shell=no
( _lt_dummy="a/b/c"
test "${_lt_dummy##*/},${_lt_dummy%/*},${_lt_dummy#??}"${_lt_dummy%"$_lt_dummy"}, \
= c,a/b,b/c, \
&& eval 'test $(( 1 + 1 )) -eq 2 \
&& test "${#_lt_dummy}" -eq 5' ) >/dev/null 2>&1 \
&& xsi_shell=yes
AC_MSG_RESULT([$xsi_shell])
_LT_CONFIG_LIBTOOL_INIT([xsi_shell='$xsi_shell'])
AC_MSG_CHECKING([whether the shell understands "+="])
lt_shell_append=no
( foo=bar; set foo baz; eval "$[1]+=\$[2]" && test "$foo" = barbaz ) \
>/dev/null 2>&1 \
&& lt_shell_append=yes
AC_MSG_RESULT([$lt_shell_append])
_LT_CONFIG_LIBTOOL_INIT([lt_shell_append='$lt_shell_append'])
if ( (MAIL=60; unset MAIL) || exit) >/dev/null 2>&1; then
lt_unset=unset
else
lt_unset=false
fi
_LT_DECL([], [lt_unset], [0], [whether the shell understands "unset"])dnl
# test EBCDIC or ASCII
case `echo X|tr X '\101'` in
A) # ASCII based system
# \n is not interpreted correctly by Solaris 8 /usr/ucb/tr
lt_SP2NL='tr \040 \012'
lt_NL2SP='tr \015\012 \040\040'
;;
*) # EBCDIC based system
lt_SP2NL='tr \100 \n'
lt_NL2SP='tr \r\n \100\100'
;;
esac
_LT_DECL([SP2NL], [lt_SP2NL], [1], [turn spaces into newlines])dnl
_LT_DECL([NL2SP], [lt_NL2SP], [1], [turn newlines into spaces])dnl
])# _LT_CHECK_SHELL_FEATURES
# _LT_PROG_FUNCTION_REPLACE (FUNCNAME, REPLACEMENT-BODY)
# ------------------------------------------------------
# In `$cfgfile', look for function FUNCNAME delimited by `^FUNCNAME ()$' and
# '^} FUNCNAME ', and replace its body with REPLACEMENT-BODY.
m4_defun([_LT_PROG_FUNCTION_REPLACE],
[dnl {
sed -e '/^$1 ()$/,/^} # $1 /c\
$1 ()\
{\
m4_bpatsubsts([$2], [$], [\\], [^\([ ]\)], [\\\1])
} # Extended-shell $1 implementation' "$cfgfile" > $cfgfile.tmp \
&& mv -f "$cfgfile.tmp" "$cfgfile" \
|| (rm -f "$cfgfile" && cp "$cfgfile.tmp" "$cfgfile" && rm -f "$cfgfile.tmp")
test 0 -eq $? || _lt_function_replace_fail=:
])
# _LT_PROG_REPLACE_SHELLFNS
# -------------------------
# Replace existing portable implementations of several shell functions with
# equivalent extended shell implementations where those features are available..
m4_defun([_LT_PROG_REPLACE_SHELLFNS],
[if test x"$xsi_shell" = xyes; then
_LT_PROG_FUNCTION_REPLACE([func_dirname], [dnl
case ${1} in
*/*) func_dirname_result="${1%/*}${2}" ;;
* ) func_dirname_result="${3}" ;;
esac])
_LT_PROG_FUNCTION_REPLACE([func_basename], [dnl
func_basename_result="${1##*/}"])
_LT_PROG_FUNCTION_REPLACE([func_dirname_and_basename], [dnl
case ${1} in
*/*) func_dirname_result="${1%/*}${2}" ;;
* ) func_dirname_result="${3}" ;;
esac
func_basename_result="${1##*/}"])
_LT_PROG_FUNCTION_REPLACE([func_stripname], [dnl
# pdksh 5.2.14 does not do ${X%$Y} correctly if both X and Y are
# positional parameters, so assign one to ordinary parameter first.
func_stripname_result=${3}
func_stripname_result=${func_stripname_result#"${1}"}
func_stripname_result=${func_stripname_result%"${2}"}])
_LT_PROG_FUNCTION_REPLACE([func_split_long_opt], [dnl
func_split_long_opt_name=${1%%=*}
func_split_long_opt_arg=${1#*=}])
_LT_PROG_FUNCTION_REPLACE([func_split_short_opt], [dnl
func_split_short_opt_arg=${1#??}
func_split_short_opt_name=${1%"$func_split_short_opt_arg"}])
_LT_PROG_FUNCTION_REPLACE([func_lo2o], [dnl
case ${1} in
*.lo) func_lo2o_result=${1%.lo}.${objext} ;;
*) func_lo2o_result=${1} ;;
esac])
_LT_PROG_FUNCTION_REPLACE([func_xform], [ func_xform_result=${1%.*}.lo])
_LT_PROG_FUNCTION_REPLACE([func_arith], [ func_arith_result=$(( $[*] ))])
_LT_PROG_FUNCTION_REPLACE([func_len], [ func_len_result=${#1}])
fi
if test x"$lt_shell_append" = xyes; then
_LT_PROG_FUNCTION_REPLACE([func_append], [ eval "${1}+=\\${2}"])
_LT_PROG_FUNCTION_REPLACE([func_append_quoted], [dnl
func_quote_for_eval "${2}"
dnl m4 expansion turns \\\\ into \\, and then the shell eval turns that into \
eval "${1}+=\\\\ \\$func_quote_for_eval_result"])
# Save a `func_append' function call where possible by direct use of '+='
sed -e 's%func_append \([[a-zA-Z_]]\{1,\}\) "%\1+="%g' $cfgfile > $cfgfile.tmp \
&& mv -f "$cfgfile.tmp" "$cfgfile" \
|| (rm -f "$cfgfile" && cp "$cfgfile.tmp" "$cfgfile" && rm -f "$cfgfile.tmp")
test 0 -eq $? || _lt_function_replace_fail=:
else
# Save a `func_append' function call even when '+=' is not available
sed -e 's%func_append \([[a-zA-Z_]]\{1,\}\) "%\1="$\1%g' $cfgfile > $cfgfile.tmp \
&& mv -f "$cfgfile.tmp" "$cfgfile" \
|| (rm -f "$cfgfile" && cp "$cfgfile.tmp" "$cfgfile" && rm -f "$cfgfile.tmp")
test 0 -eq $? || _lt_function_replace_fail=:
fi
if test x"$_lt_function_replace_fail" = x":"; then
AC_MSG_WARN([Unable to substitute extended shell functions in $ofile])
fi
])
# _LT_PATH_CONVERSION_FUNCTIONS
# -----------------------------
# Determine which file name conversion functions should be used by
# func_to_host_file (and, implicitly, by func_to_host_path). These are needed
# for certain cross-compile configurations and native mingw.
m4_defun([_LT_PATH_CONVERSION_FUNCTIONS],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
AC_REQUIRE([AC_CANONICAL_BUILD])dnl
AC_MSG_CHECKING([how to convert $build file names to $host format])
AC_CACHE_VAL(lt_cv_to_host_file_cmd,
[case $host in
*-*-mingw* )
case $build in
*-*-mingw* ) # actually msys
lt_cv_to_host_file_cmd=func_convert_file_msys_to_w32
;;
*-*-cygwin* )
lt_cv_to_host_file_cmd=func_convert_file_cygwin_to_w32
;;
* ) # otherwise, assume *nix
lt_cv_to_host_file_cmd=func_convert_file_nix_to_w32
;;
esac
;;
*-*-cygwin* )
case $build in
*-*-mingw* ) # actually msys
lt_cv_to_host_file_cmd=func_convert_file_msys_to_cygwin
;;
*-*-cygwin* )
lt_cv_to_host_file_cmd=func_convert_file_noop
;;
* ) # otherwise, assume *nix
lt_cv_to_host_file_cmd=func_convert_file_nix_to_cygwin
;;
esac
;;
* ) # unhandled hosts (and "normal" native builds)
lt_cv_to_host_file_cmd=func_convert_file_noop
;;
esac
])
to_host_file_cmd=$lt_cv_to_host_file_cmd
AC_MSG_RESULT([$lt_cv_to_host_file_cmd])
_LT_DECL([to_host_file_cmd], [lt_cv_to_host_file_cmd],
[0], [convert $build file names to $host format])dnl
AC_MSG_CHECKING([how to convert $build file names to toolchain format])
AC_CACHE_VAL(lt_cv_to_tool_file_cmd,
[#assume ordinary cross tools, or native build.
lt_cv_to_tool_file_cmd=func_convert_file_noop
case $host in
*-*-mingw* )
case $build in
*-*-mingw* ) # actually msys
lt_cv_to_tool_file_cmd=func_convert_file_msys_to_w32
;;
esac
;;
esac
])
to_tool_file_cmd=$lt_cv_to_tool_file_cmd
AC_MSG_RESULT([$lt_cv_to_tool_file_cmd])
_LT_DECL([to_tool_file_cmd], [lt_cv_to_tool_file_cmd],
[0], [convert $build files to toolchain format])dnl
])# _LT_PATH_CONVERSION_FUNCTIONS
libxc-2.1.2/m4/fortran.m4 0000664 0001750 0001750 00000012654 12471363260 012011 0000000 0000000 ## Copyright (C) 2002 M. Marques, A. Castro, A. Rubio, G. Bertsch
##
## This program is free software; you can redistribute it and/or modify
## it under the terms of the GNU Lesser General Public License as published by
## the Free Software Foundation; either version 2, or (at your option)
## any later version.
##
## This program is distributed in the hope that it will be useful,
## but WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
## GNU Lesser General Public License for more details.
##
## You should have received a copy of the GNU Lesser General Public License
## along with this program; if not, write to the Free Software
## Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
## 02110-1301, USA.
##
## $Id: acx.m4 3881 2008-03-12 23:51:07Z xavier $
##
################################################
# Check whether the compiler accepts very long lines.
# ----------------------------------
AC_DEFUN([ACX_LONG_FORTRAN_LINES],
[AC_MSG_CHECKING([whether the compiler accepts very long lines])
AC_COMPILE_IFELSE( AC_LANG_PROGRAM( [], [
write(*, *) '456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678904567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789001234567890123456789045678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890'
]),
[acx_long_lines_ok=yes; AC_DEFINE(LONG_LINES, 1, [compiler supports long lines])], [acx_long_lines_ok=no])
AC_SUBST([LONG_LINES], [$acx_long_lines_ok])
AC_MSG_RESULT($acx_long_lines_ok)
])
################################################
# Check whether the compiler accepts preprocessor "# line-number" lines.
# ----------------------------------
AC_DEFUN([ACX_F90_ACCEPTS_LINE_NUMBERS],
[
AC_MSG_CHECKING([whether the compiler accepts "line-number" lines cast by the preprocessor])
AC_COMPILE_IFELSE(
AC_LANG_PROGRAM( [], [# 1]),
[acx_f90_accepts_line_numbers_ok=yes
AC_DEFINE(F90_ACCEPTS_LINE_NUMBERS, 1, [compiler supports line-number lines])],
[acx_f90_accepts_line_numbers_ok=no])
AC_SUBST(F90_ACCEPTS_LINE_NUMBERS, $acx_f90_accepts_line_numbers_ok)
AC_MSG_RESULT($acx_f90_accepts_line_numbers_ok)
]
)
################################################
# Check for the presence of a given function in Fortran.
# It substitutes AC_CHECK_FUNC, since the latter
# seems to fail with some autotools versions, due to a call to some broken
# version of AC_LANG_FUNC_LINK_TRY.
AC_DEFUN([ACX_FORTRAN_CHECK_FUNC],
[
AC_MSG_CHECKING([for $1])
AC_LANG_PUSH(Fortran)dnl
AC_LINK_IFELSE([AC_LANG_CALL([], [$1])],
[
acx_fortran_check_func=yes
AC_DEFINE_UNQUOTED(AS_TR_CPP([HAVE_$1]),1, [Define if the $1 function can be called from Fortran])],
[
acx_fortran_check_func=no
])dnl
AC_LANG_POP(Fortran)dnl
AC_MSG_RESULT($acx_fortran_check_func)
])
################################################
# AC_LANG_FUNC_LINK_TRY(Fortran)(FUNCTION)
# ----------------------------------
m4_define([AC_LANG_FUNC_LINK_TRY(Fortran)],
[AC_LANG_PROGRAM([], [call [$1]])])
################################################
# Fortran preprocessing
# ---------------------------
# like built-in AC_EGREP_CPP, only using FCCPP, .F90 file, and regular grep
# some cpp's will behave differently on .F90 and on .c files
# using $GREP or $EGREP would imply AC_REQUIRE(AC_PROG_GREP) which leads to this warning:
# configure.ac:189: *GNU* is m4_require'd but not m4_defun'd
AC_DEFUN([ACX_GREP_FCCPP],[
AC_ARG_VAR(FCCPP, [Fortran preprocessor])
echo "$2" > conftest.F90
if (eval "$FCCPP conftest.F90") 2>&5 |
grep "$1" >/dev/null 2>&1; then :
$3
else
$4
fi
rm -f conftest*
])
AC_DEFUN([ACX_FCCPP],[
# "gcc -E -x c" means treat the file as if it were C. For some reason, when gcc identifies the source
# as Fortran, it will not concatenate tokens in preprocessing, so we must trick it.
for FCCPP_base in "$FCCPP" "/lib/cpp" "$CPP" "$CPP -x c" "`which cpp`"; do
# cycle if blank
if test -z "$FCCPP_base"; then
continue
fi
for FCCPP in "$FCCPP_base" "$FCCPP_base -ansi"; do
AC_MSG_CHECKING([whether $FCCPP is usable for Fortran preprocessing])
acx_fpp_ok=yes
ACX_GREP_FCCPP([anything], AC_LANG_PROGRAM([],[anything]),
[], [acx_fpp_ok=no; AC_MSG_RESULT([preprocessor cannot be run]); break])
# very unlikely that adding -ansi will allow it to be run at all
ACX_GREP_FCCPP([hi], AC_LANG_PROGRAM([],[
#define ADD_I(x) x ## i
ADD_I(h)]),
[], [acx_fpp_ok=no; AC_MSG_RESULT([preprocessor does not concatenate tokens])])
# in Fortran this is string concatenation, must not be stripped
# some cpp's (e.g. icc -E -ansi) might actually insert a space between // too which is not acceptable
ACX_GREP_FCCPP([rout // ine], AC_LANG_PROGRAM([],[
#define PUSH_SUB(x) x // ine
PUSH_SUB(rout)]),
[], [acx_fpp_ok=no; AC_MSG_RESULT([preprocessor mangles C++ style comment])])
if test x"$acx_fpp_ok" = xyes; then
AC_MSG_RESULT([yes])
break
fi
done
if test x"$acx_fpp_ok" = xyes; then
break
fi
done
if test x"$acx_fpp_ok" = xno; then
AC_MSG_ERROR([Could not find preprocessor usable for Fortran.])
fi
AC_SUBST(FCCPP)
])
libxc-2.1.2/m4/ac_prog_sed.m4 0000664 0001750 0001750 00000016054 12471363260 012601 0000000 0000000 # -*- Autoconf -*-
#
# This file includes functions from Autoconf 2.61, for compatibility with older
# Autoconfs. Original copyright below.
# Remove this file when we drop support for AC 2.59 and older
# This file is part of Autoconf. -*- Autoconf -*-
# Macros that test for specific, unclassified, features.
#
# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001,
# 2002, 2003, 2004, 2005, 2006 Free Software Foundation, Inc.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2, or (at your option)
# any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program; if not, write to the Free Software
# Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
# 02110-1301, USA.
#
# As a special exception, the Free Software Foundation gives unlimited
# permission to copy, distribute and modify the configure scripts that
# are the output of Autoconf. You need not follow the terms of the GNU
# General Public License when using or distributing such scripts, even
# though portions of the text of Autoconf appear in them. The GNU
# General Public License (GPL) does govern all other use of the material
# that constitutes the Autoconf program.
#
# Certain portions of the Autoconf source text are designed to be copied
# (in certain cases, depending on the input) into the output of
# Autoconf. We call these the "data" portions. The rest of the Autoconf
# source text consists of comments plus executable code that decides which
# of the data portions to output in any given case. We call these
# comments and executable code the "non-data" portions. Autoconf never
# copies any of the non-data portions into its output.
#
# This special exception to the GPL applies to versions of Autoconf
# released by the Free Software Foundation. When you make and
# distribute a modified version of Autoconf, you may extend this special
# exception to the GPL to apply to your modified version as well, *unless*
# your modified version has the potential to copy into its output some
# of the text that was the non-data portion of the version that you started
# with. (In other words, unless your change moves or copies text from
# the non-data portions to the data portions.) If your modification has
# such potential, you must delete any notice of this special exception
# to the GPL from your modified version.
#
# Written by David MacKenzie, with help from
# Franc,ois Pinard, Karl Berry, Richard Pixley, Ian Lance Taylor,
# Roland McGrath, Noah Friedman, david d zuhn, and many others.
# AC_PROG_SED
# -----------
# Check for a fully functional sed program that truncates
# as few characters as possible. Prefer GNU sed if found.
AC_DEFUN([AC_PROG_SED],
[AC_CACHE_CHECK([for a sed that does not truncate output], ac_cv_path_SED,
[dnl ac_script should not contain more than 99 commands (for HP-UX sed),
dnl but more than about 7000 bytes, to catch a limit in Solaris 8 /usr/ucb/sed.
ac_script=s/aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa/bbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbb/
for ac_i in 1 2 3 4 5 6 7; do
ac_script="$ac_script$as_nl$ac_script"
done
echo "$ac_script" | sed 99q >conftest.sed
$as_unset ac_script || ac_script=
_AC_PATH_PROG_FEATURE_CHECK(SED, [sed gsed],
[_AC_FEATURE_CHECK_LENGTH([ac_path_SED], [ac_cv_path_SED],
["$ac_path_SED" -f conftest.sed])])])
SED="$ac_cv_path_SED"
AC_SUBST([SED])dnl
rm -f conftest.sed
])# AC_PROG_SED
# _AC_PATH_PROG_FEATURE_CHECK(VARIABLE, PROGNAME-LIST, FEATURE-TEST, [PATH])
# --------------------------------------------------------------------------
# FEATURE-TEST is called repeatedly with $ac_path_VARIABLE set to the
# name of a program in PROGNAME-LIST found in PATH. FEATURE-TEST must set
# $ac_cv_path_VARIABLE to the path of an acceptable program, or else
# _AC_PATH_PROG_FEATURE_CHECK will report that no acceptable program
# was found, and abort. If a suitable $ac_path_VARIABLE is found in the
# FEATURE-TEST macro, it can set $ac_path_VARIABLE_found=':' to accept
# that value without any further checks.
m4_define([_AC_PATH_PROG_FEATURE_CHECK],
[# Extract the first word of "$2" to use in msg output
if test -z "$$1"; then
set dummy $2; ac_prog_name=$[2]
AC_CACHE_VAL([ac_cv_path_$1],
[ac_path_$1_found=false
# Loop through the user's path and test for each of PROGNAME-LIST
_AS_PATH_WALK([$4],
[for ac_prog in $2; do
for ac_exec_ext in '' $ac_executable_extensions; do
ac_path_$1="$as_dir/$ac_prog$ac_exec_ext"
AS_EXECUTABLE_P(["$ac_path_$1"]) || continue
$3
$ac_path_$1_found && break 3
done
done
])
])
$1="$ac_cv_path_$1"
if test -z "$$1"; then
AC_MSG_ERROR([no acceptable $ac_prog_name could be found in dnl
m4_default([$4], [\$PATH])])
fi
AC_SUBST([$1])
else
ac_cv_path_$1=$$1
fi
])
# _AC_FEATURE_CHECK_LENGTH(PROGPATH, CACHE-VAR, CHECK-CMD, [MATCH-STRING])
# ------------------------------------------------------------------------
# For use as the FEATURE-TEST argument to _AC_PATH_PROG_FEATURE_TEST.
# On each iteration run CHECK-CMD on an input file, storing the value
# of PROGPATH in CACHE-VAR if the CHECK-CMD succeeds. The input file
# is always one line, starting with only 10 characters, and doubling
# in length at each iteration until approx 10000 characters or the
# feature check succeeds. The feature check is called at each
# iteration by appending (optionally, MATCH-STRING and) a newline
# to the file, and using the result as input to CHECK-CMD.
m4_define([_AC_FEATURE_CHECK_LENGTH],
[# Check for GNU $1 and select it if it is found.
_AC_PATH_PROG_FLAVOR_GNU([$$1],
[$2="$$1" $1_found=:],
[ac_count=0
echo $ECHO_N "0123456789$ECHO_C" >"conftest.in"
while :
do
cat "conftest.in" "conftest.in" >"conftest.tmp"
mv "conftest.tmp" "conftest.in"
cp "conftest.in" "conftest.nl"
echo '$4' >> "conftest.nl"
$3 < "conftest.nl" >"conftest.out" 2>/dev/null || break
diff "conftest.out" "conftest.nl" >/dev/null 2>&1 || break
ac_count=`expr $ac_count + 1`
if test $ac_count -gt ${$1_max-0}; then
# Best one so far, save it but keep looking for a better one
$2="$$1"
dnl # Using $1_max so that each tool feature checked gets its
dnl # own variable. Don't reset it otherwise the implied search
dnl # for best performing tool in a list breaks down.
$1_max=$ac_count
fi
# 10*(2^10) chars as input seems more than enough
test $ac_count -gt 10 && break
done
rm -f conftest.in conftest.tmp conftest.nl conftest.out])
])
# _AC_PATH_PROG_FLAVOR_GNU(PROGRAM-PATH, IF-SUCCESS, [IF-FAILURE])
# ----------------------------------------------------------------
m4_define([_AC_PATH_PROG_FLAVOR_GNU],
[# Check for GNU $1
case `"$1" --version 2>&1` in
*GNU*)
$2;;
m4_ifval([$3],
[*)
$3;;
])esac
])# _AC_PATH_PROG_FLAVOR_GNU
libxc-2.1.2/m4/lt~obsolete.m4 0000644 0001750 0001750 00000013756 12471363256 012717 0000000 0000000 # lt~obsolete.m4 -- aclocal satisfying obsolete definitions. -*-Autoconf-*-
#
# Copyright (C) 2004, 2005, 2007, 2009 Free Software Foundation, Inc.
# Written by Scott James Remnant, 2004.
#
# This file is free software; the Free Software Foundation gives
# unlimited permission to copy and/or distribute it, with or without
# modifications, as long as this notice is preserved.
# serial 5 lt~obsolete.m4
# These exist entirely to fool aclocal when bootstrapping libtool.
#
# In the past libtool.m4 has provided macros via AC_DEFUN (or AU_DEFUN)
# which have later been changed to m4_define as they aren't part of the
# exported API, or moved to Autoconf or Automake where they belong.
#
# The trouble is, aclocal is a bit thick. It'll see the old AC_DEFUN
# in /usr/share/aclocal/libtool.m4 and remember it, then when it sees us
# using a macro with the same name in our local m4/libtool.m4 it'll
# pull the old libtool.m4 in (it doesn't see our shiny new m4_define
# and doesn't know about Autoconf macros at all.)
#
# So we provide this file, which has a silly filename so it's always
# included after everything else. This provides aclocal with the
# AC_DEFUNs it wants, but when m4 processes it, it doesn't do anything
# because those macros already exist, or will be overwritten later.
# We use AC_DEFUN over AU_DEFUN for compatibility with aclocal-1.6.
#
# Anytime we withdraw an AC_DEFUN or AU_DEFUN, remember to add it here.
# Yes, that means every name once taken will need to remain here until
# we give up compatibility with versions before 1.7, at which point
# we need to keep only those names which we still refer to.
# This is to help aclocal find these macros, as it can't see m4_define.
AC_DEFUN([LTOBSOLETE_VERSION], [m4_if([1])])
m4_ifndef([AC_LIBTOOL_LINKER_OPTION], [AC_DEFUN([AC_LIBTOOL_LINKER_OPTION])])
m4_ifndef([AC_PROG_EGREP], [AC_DEFUN([AC_PROG_EGREP])])
m4_ifndef([_LT_AC_PROG_ECHO_BACKSLASH], [AC_DEFUN([_LT_AC_PROG_ECHO_BACKSLASH])])
m4_ifndef([_LT_AC_SHELL_INIT], [AC_DEFUN([_LT_AC_SHELL_INIT])])
m4_ifndef([_LT_AC_SYS_LIBPATH_AIX], [AC_DEFUN([_LT_AC_SYS_LIBPATH_AIX])])
m4_ifndef([_LT_PROG_LTMAIN], [AC_DEFUN([_LT_PROG_LTMAIN])])
m4_ifndef([_LT_AC_TAGVAR], [AC_DEFUN([_LT_AC_TAGVAR])])
m4_ifndef([AC_LTDL_ENABLE_INSTALL], [AC_DEFUN([AC_LTDL_ENABLE_INSTALL])])
m4_ifndef([AC_LTDL_PREOPEN], [AC_DEFUN([AC_LTDL_PREOPEN])])
m4_ifndef([_LT_AC_SYS_COMPILER], [AC_DEFUN([_LT_AC_SYS_COMPILER])])
m4_ifndef([_LT_AC_LOCK], [AC_DEFUN([_LT_AC_LOCK])])
m4_ifndef([AC_LIBTOOL_SYS_OLD_ARCHIVE], [AC_DEFUN([AC_LIBTOOL_SYS_OLD_ARCHIVE])])
m4_ifndef([_LT_AC_TRY_DLOPEN_SELF], [AC_DEFUN([_LT_AC_TRY_DLOPEN_SELF])])
m4_ifndef([AC_LIBTOOL_PROG_CC_C_O], [AC_DEFUN([AC_LIBTOOL_PROG_CC_C_O])])
m4_ifndef([AC_LIBTOOL_SYS_HARD_LINK_LOCKS], [AC_DEFUN([AC_LIBTOOL_SYS_HARD_LINK_LOCKS])])
m4_ifndef([AC_LIBTOOL_OBJDIR], [AC_DEFUN([AC_LIBTOOL_OBJDIR])])
m4_ifndef([AC_LTDL_OBJDIR], [AC_DEFUN([AC_LTDL_OBJDIR])])
m4_ifndef([AC_LIBTOOL_PROG_LD_HARDCODE_LIBPATH], [AC_DEFUN([AC_LIBTOOL_PROG_LD_HARDCODE_LIBPATH])])
m4_ifndef([AC_LIBTOOL_SYS_LIB_STRIP], [AC_DEFUN([AC_LIBTOOL_SYS_LIB_STRIP])])
m4_ifndef([AC_PATH_MAGIC], [AC_DEFUN([AC_PATH_MAGIC])])
m4_ifndef([AC_PROG_LD_GNU], [AC_DEFUN([AC_PROG_LD_GNU])])
m4_ifndef([AC_PROG_LD_RELOAD_FLAG], [AC_DEFUN([AC_PROG_LD_RELOAD_FLAG])])
m4_ifndef([AC_DEPLIBS_CHECK_METHOD], [AC_DEFUN([AC_DEPLIBS_CHECK_METHOD])])
m4_ifndef([AC_LIBTOOL_PROG_COMPILER_NO_RTTI], [AC_DEFUN([AC_LIBTOOL_PROG_COMPILER_NO_RTTI])])
m4_ifndef([AC_LIBTOOL_SYS_GLOBAL_SYMBOL_PIPE], [AC_DEFUN([AC_LIBTOOL_SYS_GLOBAL_SYMBOL_PIPE])])
m4_ifndef([AC_LIBTOOL_PROG_COMPILER_PIC], [AC_DEFUN([AC_LIBTOOL_PROG_COMPILER_PIC])])
m4_ifndef([AC_LIBTOOL_PROG_LD_SHLIBS], [AC_DEFUN([AC_LIBTOOL_PROG_LD_SHLIBS])])
m4_ifndef([AC_LIBTOOL_POSTDEP_PREDEP], [AC_DEFUN([AC_LIBTOOL_POSTDEP_PREDEP])])
m4_ifndef([LT_AC_PROG_EGREP], [AC_DEFUN([LT_AC_PROG_EGREP])])
m4_ifndef([LT_AC_PROG_SED], [AC_DEFUN([LT_AC_PROG_SED])])
m4_ifndef([_LT_CC_BASENAME], [AC_DEFUN([_LT_CC_BASENAME])])
m4_ifndef([_LT_COMPILER_BOILERPLATE], [AC_DEFUN([_LT_COMPILER_BOILERPLATE])])
m4_ifndef([_LT_LINKER_BOILERPLATE], [AC_DEFUN([_LT_LINKER_BOILERPLATE])])
m4_ifndef([_AC_PROG_LIBTOOL], [AC_DEFUN([_AC_PROG_LIBTOOL])])
m4_ifndef([AC_LIBTOOL_SETUP], [AC_DEFUN([AC_LIBTOOL_SETUP])])
m4_ifndef([_LT_AC_CHECK_DLFCN], [AC_DEFUN([_LT_AC_CHECK_DLFCN])])
m4_ifndef([AC_LIBTOOL_SYS_DYNAMIC_LINKER], [AC_DEFUN([AC_LIBTOOL_SYS_DYNAMIC_LINKER])])
m4_ifndef([_LT_AC_TAGCONFIG], [AC_DEFUN([_LT_AC_TAGCONFIG])])
m4_ifndef([AC_DISABLE_FAST_INSTALL], [AC_DEFUN([AC_DISABLE_FAST_INSTALL])])
m4_ifndef([_LT_AC_LANG_CXX], [AC_DEFUN([_LT_AC_LANG_CXX])])
m4_ifndef([_LT_AC_LANG_F77], [AC_DEFUN([_LT_AC_LANG_F77])])
m4_ifndef([_LT_AC_LANG_GCJ], [AC_DEFUN([_LT_AC_LANG_GCJ])])
m4_ifndef([AC_LIBTOOL_LANG_C_CONFIG], [AC_DEFUN([AC_LIBTOOL_LANG_C_CONFIG])])
m4_ifndef([_LT_AC_LANG_C_CONFIG], [AC_DEFUN([_LT_AC_LANG_C_CONFIG])])
m4_ifndef([AC_LIBTOOL_LANG_CXX_CONFIG], [AC_DEFUN([AC_LIBTOOL_LANG_CXX_CONFIG])])
m4_ifndef([_LT_AC_LANG_CXX_CONFIG], [AC_DEFUN([_LT_AC_LANG_CXX_CONFIG])])
m4_ifndef([AC_LIBTOOL_LANG_F77_CONFIG], [AC_DEFUN([AC_LIBTOOL_LANG_F77_CONFIG])])
m4_ifndef([_LT_AC_LANG_F77_CONFIG], [AC_DEFUN([_LT_AC_LANG_F77_CONFIG])])
m4_ifndef([AC_LIBTOOL_LANG_GCJ_CONFIG], [AC_DEFUN([AC_LIBTOOL_LANG_GCJ_CONFIG])])
m4_ifndef([_LT_AC_LANG_GCJ_CONFIG], [AC_DEFUN([_LT_AC_LANG_GCJ_CONFIG])])
m4_ifndef([AC_LIBTOOL_LANG_RC_CONFIG], [AC_DEFUN([AC_LIBTOOL_LANG_RC_CONFIG])])
m4_ifndef([_LT_AC_LANG_RC_CONFIG], [AC_DEFUN([_LT_AC_LANG_RC_CONFIG])])
m4_ifndef([AC_LIBTOOL_CONFIG], [AC_DEFUN([AC_LIBTOOL_CONFIG])])
m4_ifndef([_LT_AC_FILE_LTDLL_C], [AC_DEFUN([_LT_AC_FILE_LTDLL_C])])
m4_ifndef([_LT_REQUIRED_DARWIN_CHECKS], [AC_DEFUN([_LT_REQUIRED_DARWIN_CHECKS])])
m4_ifndef([_LT_AC_PROG_CXXCPP], [AC_DEFUN([_LT_AC_PROG_CXXCPP])])
m4_ifndef([_LT_PREPARE_SED_QUOTE_VARS], [AC_DEFUN([_LT_PREPARE_SED_QUOTE_VARS])])
m4_ifndef([_LT_PROG_ECHO_BACKSLASH], [AC_DEFUN([_LT_PROG_ECHO_BACKSLASH])])
m4_ifndef([_LT_PROG_F77], [AC_DEFUN([_LT_PROG_F77])])
m4_ifndef([_LT_PROG_FC], [AC_DEFUN([_LT_PROG_FC])])
m4_ifndef([_LT_PROG_CXX], [AC_DEFUN([_LT_PROG_CXX])])
libxc-2.1.2/m4/ltsugar.m4 0000644 0001750 0001750 00000010424 12471363256 012013 0000000 0000000 # ltsugar.m4 -- libtool m4 base layer. -*-Autoconf-*-
#
# Copyright (C) 2004, 2005, 2007, 2008 Free Software Foundation, Inc.
# Written by Gary V. Vaughan, 2004
#
# This file is free software; the Free Software Foundation gives
# unlimited permission to copy and/or distribute it, with or without
# modifications, as long as this notice is preserved.
# serial 6 ltsugar.m4
# This is to help aclocal find these macros, as it can't see m4_define.
AC_DEFUN([LTSUGAR_VERSION], [m4_if([0.1])])
# lt_join(SEP, ARG1, [ARG2...])
# -----------------------------
# Produce ARG1SEPARG2...SEPARGn, omitting [] arguments and their
# associated separator.
# Needed until we can rely on m4_join from Autoconf 2.62, since all earlier
# versions in m4sugar had bugs.
m4_define([lt_join],
[m4_if([$#], [1], [],
[$#], [2], [[$2]],
[m4_if([$2], [], [], [[$2]_])$0([$1], m4_shift(m4_shift($@)))])])
m4_define([_lt_join],
[m4_if([$#$2], [2], [],
[m4_if([$2], [], [], [[$1$2]])$0([$1], m4_shift(m4_shift($@)))])])
# lt_car(LIST)
# lt_cdr(LIST)
# ------------
# Manipulate m4 lists.
# These macros are necessary as long as will still need to support
# Autoconf-2.59 which quotes differently.
m4_define([lt_car], [[$1]])
m4_define([lt_cdr],
[m4_if([$#], 0, [m4_fatal([$0: cannot be called without arguments])],
[$#], 1, [],
[m4_dquote(m4_shift($@))])])
m4_define([lt_unquote], $1)
# lt_append(MACRO-NAME, STRING, [SEPARATOR])
# ------------------------------------------
# Redefine MACRO-NAME to hold its former content plus `SEPARATOR'`STRING'.
# Note that neither SEPARATOR nor STRING are expanded; they are appended
# to MACRO-NAME as is (leaving the expansion for when MACRO-NAME is invoked).
# No SEPARATOR is output if MACRO-NAME was previously undefined (different
# than defined and empty).
#
# This macro is needed until we can rely on Autoconf 2.62, since earlier
# versions of m4sugar mistakenly expanded SEPARATOR but not STRING.
m4_define([lt_append],
[m4_define([$1],
m4_ifdef([$1], [m4_defn([$1])[$3]])[$2])])
# lt_combine(SEP, PREFIX-LIST, INFIX, SUFFIX1, [SUFFIX2...])
# ----------------------------------------------------------
# Produce a SEP delimited list of all paired combinations of elements of
# PREFIX-LIST with SUFFIX1 through SUFFIXn. Each element of the list
# has the form PREFIXmINFIXSUFFIXn.
# Needed until we can rely on m4_combine added in Autoconf 2.62.
m4_define([lt_combine],
[m4_if(m4_eval([$# > 3]), [1],
[m4_pushdef([_Lt_sep], [m4_define([_Lt_sep], m4_defn([lt_car]))])]]dnl
[[m4_foreach([_Lt_prefix], [$2],
[m4_foreach([_Lt_suffix],
]m4_dquote(m4_dquote(m4_shift(m4_shift(m4_shift($@)))))[,
[_Lt_sep([$1])[]m4_defn([_Lt_prefix])[$3]m4_defn([_Lt_suffix])])])])])
# lt_if_append_uniq(MACRO-NAME, VARNAME, [SEPARATOR], [UNIQ], [NOT-UNIQ])
# -----------------------------------------------------------------------
# Iff MACRO-NAME does not yet contain VARNAME, then append it (delimited
# by SEPARATOR if supplied) and expand UNIQ, else NOT-UNIQ.
m4_define([lt_if_append_uniq],
[m4_ifdef([$1],
[m4_if(m4_index([$3]m4_defn([$1])[$3], [$3$2$3]), [-1],
[lt_append([$1], [$2], [$3])$4],
[$5])],
[lt_append([$1], [$2], [$3])$4])])
# lt_dict_add(DICT, KEY, VALUE)
# -----------------------------
m4_define([lt_dict_add],
[m4_define([$1($2)], [$3])])
# lt_dict_add_subkey(DICT, KEY, SUBKEY, VALUE)
# --------------------------------------------
m4_define([lt_dict_add_subkey],
[m4_define([$1($2:$3)], [$4])])
# lt_dict_fetch(DICT, KEY, [SUBKEY])
# ----------------------------------
m4_define([lt_dict_fetch],
[m4_ifval([$3],
m4_ifdef([$1($2:$3)], [m4_defn([$1($2:$3)])]),
m4_ifdef([$1($2)], [m4_defn([$1($2)])]))])
# lt_if_dict_fetch(DICT, KEY, [SUBKEY], VALUE, IF-TRUE, [IF-FALSE])
# -----------------------------------------------------------------
m4_define([lt_if_dict_fetch],
[m4_if(lt_dict_fetch([$1], [$2], [$3]), [$4],
[$5],
[$6])])
# lt_dict_filter(DICT, [SUBKEY], VALUE, [SEPARATOR], KEY, [...])
# --------------------------------------------------------------
m4_define([lt_dict_filter],
[m4_if([$5], [], [],
[lt_join(m4_quote(m4_default([$4], [[, ]])),
lt_unquote(m4_split(m4_normalize(m4_foreach(_Lt_key, lt_car([m4_shiftn(4, $@)]),
[lt_if_dict_fetch([$1], _Lt_key, [$2], [$3], [_Lt_key ])])))))])[]dnl
])
libxc-2.1.2/m4/fc_integer.m4 0000664 0001750 0001750 00000006025 12471363260 012436 0000000 0000000 ## Copyright (C) 2002 M. Marques, A. Castro, A. Rubio, G. Bertsch
##
## This program is free software; you can redistribute it and/or modify
## it under the terms of the GNU Lesser General Public License as published by
## the Free Software Foundation; either version 2, or (at your option)
## any later version.
##
## This program is distributed in the hope that it will be useful,
## but WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
## GNU Lesser General Public License for more details.
##
## You should have received a copy of the GNU Lesser General Public License
## along with this program; if not, write to the Free Software
## Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
## 02110-1301, USA.
##
## $Id: acx.m4 3881 2008-03-12 23:51:07Z xavier $
##
################################################
# Check size of a fortran integer
# ----------------------------------
AC_DEFUN([ACX_FC_INTEGER_SIZE],[
AC_REQUIRE([AC_PROG_FC])
if test -z "$FC_INTEGER_SIZE"; then
AC_MSG_CHECKING([for the size of a Fortran integer])
AC_RUN_IFELSE([AC_LANG_PROGRAM([],[
integer :: i
integer(8) :: i8
i8 = huge(i)
select case(i8)
case(127_8); i = 1
case(32767_8); i = 2
case(2147483647_8); i = 4
case(9223372036854775807_8); i = 8
case default; write(*,'(a,i20)') "unrecognized size ", i8; stop 999
end select
open(1, file='conftest.out')
write(1,'(i1)') i
])],
[ac_fcintegersize=`cat conftest.out`],
[AC_MSG_FAILURE(f90 program to find the size of a Fortran integer failed)],
[ac_fcintegersize=4; echo -n "cross-compiling; assuming... "])
AC_MSG_RESULT([${ac_fcintegersize} bytes])
else
ac_fcintegersize=$FC_INTEGER_SIZE
fi
AC_DEFINE_UNQUOTED(FC_INTEGER_SIZE, ${ac_fcintegersize}, [The size of a Fortran integer])
])
################################################
# Check which C type corresponds to Fortran int
# ----------------------------------
AC_DEFUN([ACX_CC_FORTRAN_INT],[
AC_MSG_CHECKING([for which C type corresponds to Fortran integer])
AC_REQUIRE([ACX_FC_INTEGER_SIZE])
AC_REQUIRE([AC_PROG_CC])
if test -z "$CC_FORTRAN_INT"; then
AC_LANG_PUSH([C])
AC_RUN_IFELSE([AC_LANG_PROGRAM([
#include
],[
FILE* fp;
fp = fopen("conftest.out", "w");
if(${ac_fcintegersize} == sizeof(char))
fprintf(fp, "char");
else if(${ac_fcintegersize} == sizeof(short))
fprintf(fp, "short");
else if(${ac_fcintegersize} == sizeof(int))
fprintf(fp, "int");
else if(${ac_fcintegersize} == sizeof(long))
fprintf(fp, "long");
else
return 1;
])],
[ac_ccfortranint=`cat conftest.out`],
[AC_MSG_FAILURE(C program failed to find the C type of a Fortran integer)],
[ac_ccfortranint="int"; echo -n "cross-compiling; assuming... "])
AC_LANG_POP([C])
AC_MSG_RESULT([${ac_ccfortranint}])
else
ac_ccfortranint=$CC_FORTRAN_INT
fi
AC_DEFINE_UNQUOTED(CC_FORTRAN_INT, ${ac_ccfortranint}, [The C type of a Fortran integer])
])
libxc-2.1.2/m4/ltoptions.m4 0000644 0001750 0001750 00000030073 12471363256 012367 0000000 0000000 # Helper functions for option handling. -*- Autoconf -*-
#
# Copyright (C) 2004, 2005, 2007, 2008, 2009 Free Software Foundation,
# Inc.
# Written by Gary V. Vaughan, 2004
#
# This file is free software; the Free Software Foundation gives
# unlimited permission to copy and/or distribute it, with or without
# modifications, as long as this notice is preserved.
# serial 7 ltoptions.m4
# This is to help aclocal find these macros, as it can't see m4_define.
AC_DEFUN([LTOPTIONS_VERSION], [m4_if([1])])
# _LT_MANGLE_OPTION(MACRO-NAME, OPTION-NAME)
# ------------------------------------------
m4_define([_LT_MANGLE_OPTION],
[[_LT_OPTION_]m4_bpatsubst($1__$2, [[^a-zA-Z0-9_]], [_])])
# _LT_SET_OPTION(MACRO-NAME, OPTION-NAME)
# ---------------------------------------
# Set option OPTION-NAME for macro MACRO-NAME, and if there is a
# matching handler defined, dispatch to it. Other OPTION-NAMEs are
# saved as a flag.
m4_define([_LT_SET_OPTION],
[m4_define(_LT_MANGLE_OPTION([$1], [$2]))dnl
m4_ifdef(_LT_MANGLE_DEFUN([$1], [$2]),
_LT_MANGLE_DEFUN([$1], [$2]),
[m4_warning([Unknown $1 option `$2'])])[]dnl
])
# _LT_IF_OPTION(MACRO-NAME, OPTION-NAME, IF-SET, [IF-NOT-SET])
# ------------------------------------------------------------
# Execute IF-SET if OPTION is set, IF-NOT-SET otherwise.
m4_define([_LT_IF_OPTION],
[m4_ifdef(_LT_MANGLE_OPTION([$1], [$2]), [$3], [$4])])
# _LT_UNLESS_OPTIONS(MACRO-NAME, OPTION-LIST, IF-NOT-SET)
# -------------------------------------------------------
# Execute IF-NOT-SET unless all options in OPTION-LIST for MACRO-NAME
# are set.
m4_define([_LT_UNLESS_OPTIONS],
[m4_foreach([_LT_Option], m4_split(m4_normalize([$2])),
[m4_ifdef(_LT_MANGLE_OPTION([$1], _LT_Option),
[m4_define([$0_found])])])[]dnl
m4_ifdef([$0_found], [m4_undefine([$0_found])], [$3
])[]dnl
])
# _LT_SET_OPTIONS(MACRO-NAME, OPTION-LIST)
# ----------------------------------------
# OPTION-LIST is a space-separated list of Libtool options associated
# with MACRO-NAME. If any OPTION has a matching handler declared with
# LT_OPTION_DEFINE, dispatch to that macro; otherwise complain about
# the unknown option and exit.
m4_defun([_LT_SET_OPTIONS],
[# Set options
m4_foreach([_LT_Option], m4_split(m4_normalize([$2])),
[_LT_SET_OPTION([$1], _LT_Option)])
m4_if([$1],[LT_INIT],[
dnl
dnl Simply set some default values (i.e off) if boolean options were not
dnl specified:
_LT_UNLESS_OPTIONS([LT_INIT], [dlopen], [enable_dlopen=no
])
_LT_UNLESS_OPTIONS([LT_INIT], [win32-dll], [enable_win32_dll=no
])
dnl
dnl If no reference was made to various pairs of opposing options, then
dnl we run the default mode handler for the pair. For example, if neither
dnl `shared' nor `disable-shared' was passed, we enable building of shared
dnl archives by default:
_LT_UNLESS_OPTIONS([LT_INIT], [shared disable-shared], [_LT_ENABLE_SHARED])
_LT_UNLESS_OPTIONS([LT_INIT], [static disable-static], [_LT_ENABLE_STATIC])
_LT_UNLESS_OPTIONS([LT_INIT], [pic-only no-pic], [_LT_WITH_PIC])
_LT_UNLESS_OPTIONS([LT_INIT], [fast-install disable-fast-install],
[_LT_ENABLE_FAST_INSTALL])
])
])# _LT_SET_OPTIONS
## --------------------------------- ##
## Macros to handle LT_INIT options. ##
## --------------------------------- ##
# _LT_MANGLE_DEFUN(MACRO-NAME, OPTION-NAME)
# -----------------------------------------
m4_define([_LT_MANGLE_DEFUN],
[[_LT_OPTION_DEFUN_]m4_bpatsubst(m4_toupper([$1__$2]), [[^A-Z0-9_]], [_])])
# LT_OPTION_DEFINE(MACRO-NAME, OPTION-NAME, CODE)
# -----------------------------------------------
m4_define([LT_OPTION_DEFINE],
[m4_define(_LT_MANGLE_DEFUN([$1], [$2]), [$3])[]dnl
])# LT_OPTION_DEFINE
# dlopen
# ------
LT_OPTION_DEFINE([LT_INIT], [dlopen], [enable_dlopen=yes
])
AU_DEFUN([AC_LIBTOOL_DLOPEN],
[_LT_SET_OPTION([LT_INIT], [dlopen])
AC_DIAGNOSE([obsolete],
[$0: Remove this warning and the call to _LT_SET_OPTION when you
put the `dlopen' option into LT_INIT's first parameter.])
])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_DLOPEN], [])
# win32-dll
# ---------
# Declare package support for building win32 dll's.
LT_OPTION_DEFINE([LT_INIT], [win32-dll],
[enable_win32_dll=yes
case $host in
*-*-cygwin* | *-*-mingw* | *-*-pw32* | *-*-cegcc*)
AC_CHECK_TOOL(AS, as, false)
AC_CHECK_TOOL(DLLTOOL, dlltool, false)
AC_CHECK_TOOL(OBJDUMP, objdump, false)
;;
esac
test -z "$AS" && AS=as
_LT_DECL([], [AS], [1], [Assembler program])dnl
test -z "$DLLTOOL" && DLLTOOL=dlltool
_LT_DECL([], [DLLTOOL], [1], [DLL creation program])dnl
test -z "$OBJDUMP" && OBJDUMP=objdump
_LT_DECL([], [OBJDUMP], [1], [Object dumper program])dnl
])# win32-dll
AU_DEFUN([AC_LIBTOOL_WIN32_DLL],
[AC_REQUIRE([AC_CANONICAL_HOST])dnl
_LT_SET_OPTION([LT_INIT], [win32-dll])
AC_DIAGNOSE([obsolete],
[$0: Remove this warning and the call to _LT_SET_OPTION when you
put the `win32-dll' option into LT_INIT's first parameter.])
])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_WIN32_DLL], [])
# _LT_ENABLE_SHARED([DEFAULT])
# ----------------------------
# implement the --enable-shared flag, and supports the `shared' and
# `disable-shared' LT_INIT options.
# DEFAULT is either `yes' or `no'. If omitted, it defaults to `yes'.
m4_define([_LT_ENABLE_SHARED],
[m4_define([_LT_ENABLE_SHARED_DEFAULT], [m4_if($1, no, no, yes)])dnl
AC_ARG_ENABLE([shared],
[AS_HELP_STRING([--enable-shared@<:@=PKGS@:>@],
[build shared libraries @<:@default=]_LT_ENABLE_SHARED_DEFAULT[@:>@])],
[p=${PACKAGE-default}
case $enableval in
yes) enable_shared=yes ;;
no) enable_shared=no ;;
*)
enable_shared=no
# Look at the argument we got. We use all the common list separators.
lt_save_ifs="$IFS"; IFS="${IFS}$PATH_SEPARATOR,"
for pkg in $enableval; do
IFS="$lt_save_ifs"
if test "X$pkg" = "X$p"; then
enable_shared=yes
fi
done
IFS="$lt_save_ifs"
;;
esac],
[enable_shared=]_LT_ENABLE_SHARED_DEFAULT)
_LT_DECL([build_libtool_libs], [enable_shared], [0],
[Whether or not to build shared libraries])
])# _LT_ENABLE_SHARED
LT_OPTION_DEFINE([LT_INIT], [shared], [_LT_ENABLE_SHARED([yes])])
LT_OPTION_DEFINE([LT_INIT], [disable-shared], [_LT_ENABLE_SHARED([no])])
# Old names:
AC_DEFUN([AC_ENABLE_SHARED],
[_LT_SET_OPTION([LT_INIT], m4_if([$1], [no], [disable-])[shared])
])
AC_DEFUN([AC_DISABLE_SHARED],
[_LT_SET_OPTION([LT_INIT], [disable-shared])
])
AU_DEFUN([AM_ENABLE_SHARED], [AC_ENABLE_SHARED($@)])
AU_DEFUN([AM_DISABLE_SHARED], [AC_DISABLE_SHARED($@)])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AM_ENABLE_SHARED], [])
dnl AC_DEFUN([AM_DISABLE_SHARED], [])
# _LT_ENABLE_STATIC([DEFAULT])
# ----------------------------
# implement the --enable-static flag, and support the `static' and
# `disable-static' LT_INIT options.
# DEFAULT is either `yes' or `no'. If omitted, it defaults to `yes'.
m4_define([_LT_ENABLE_STATIC],
[m4_define([_LT_ENABLE_STATIC_DEFAULT], [m4_if($1, no, no, yes)])dnl
AC_ARG_ENABLE([static],
[AS_HELP_STRING([--enable-static@<:@=PKGS@:>@],
[build static libraries @<:@default=]_LT_ENABLE_STATIC_DEFAULT[@:>@])],
[p=${PACKAGE-default}
case $enableval in
yes) enable_static=yes ;;
no) enable_static=no ;;
*)
enable_static=no
# Look at the argument we got. We use all the common list separators.
lt_save_ifs="$IFS"; IFS="${IFS}$PATH_SEPARATOR,"
for pkg in $enableval; do
IFS="$lt_save_ifs"
if test "X$pkg" = "X$p"; then
enable_static=yes
fi
done
IFS="$lt_save_ifs"
;;
esac],
[enable_static=]_LT_ENABLE_STATIC_DEFAULT)
_LT_DECL([build_old_libs], [enable_static], [0],
[Whether or not to build static libraries])
])# _LT_ENABLE_STATIC
LT_OPTION_DEFINE([LT_INIT], [static], [_LT_ENABLE_STATIC([yes])])
LT_OPTION_DEFINE([LT_INIT], [disable-static], [_LT_ENABLE_STATIC([no])])
# Old names:
AC_DEFUN([AC_ENABLE_STATIC],
[_LT_SET_OPTION([LT_INIT], m4_if([$1], [no], [disable-])[static])
])
AC_DEFUN([AC_DISABLE_STATIC],
[_LT_SET_OPTION([LT_INIT], [disable-static])
])
AU_DEFUN([AM_ENABLE_STATIC], [AC_ENABLE_STATIC($@)])
AU_DEFUN([AM_DISABLE_STATIC], [AC_DISABLE_STATIC($@)])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AM_ENABLE_STATIC], [])
dnl AC_DEFUN([AM_DISABLE_STATIC], [])
# _LT_ENABLE_FAST_INSTALL([DEFAULT])
# ----------------------------------
# implement the --enable-fast-install flag, and support the `fast-install'
# and `disable-fast-install' LT_INIT options.
# DEFAULT is either `yes' or `no'. If omitted, it defaults to `yes'.
m4_define([_LT_ENABLE_FAST_INSTALL],
[m4_define([_LT_ENABLE_FAST_INSTALL_DEFAULT], [m4_if($1, no, no, yes)])dnl
AC_ARG_ENABLE([fast-install],
[AS_HELP_STRING([--enable-fast-install@<:@=PKGS@:>@],
[optimize for fast installation @<:@default=]_LT_ENABLE_FAST_INSTALL_DEFAULT[@:>@])],
[p=${PACKAGE-default}
case $enableval in
yes) enable_fast_install=yes ;;
no) enable_fast_install=no ;;
*)
enable_fast_install=no
# Look at the argument we got. We use all the common list separators.
lt_save_ifs="$IFS"; IFS="${IFS}$PATH_SEPARATOR,"
for pkg in $enableval; do
IFS="$lt_save_ifs"
if test "X$pkg" = "X$p"; then
enable_fast_install=yes
fi
done
IFS="$lt_save_ifs"
;;
esac],
[enable_fast_install=]_LT_ENABLE_FAST_INSTALL_DEFAULT)
_LT_DECL([fast_install], [enable_fast_install], [0],
[Whether or not to optimize for fast installation])dnl
])# _LT_ENABLE_FAST_INSTALL
LT_OPTION_DEFINE([LT_INIT], [fast-install], [_LT_ENABLE_FAST_INSTALL([yes])])
LT_OPTION_DEFINE([LT_INIT], [disable-fast-install], [_LT_ENABLE_FAST_INSTALL([no])])
# Old names:
AU_DEFUN([AC_ENABLE_FAST_INSTALL],
[_LT_SET_OPTION([LT_INIT], m4_if([$1], [no], [disable-])[fast-install])
AC_DIAGNOSE([obsolete],
[$0: Remove this warning and the call to _LT_SET_OPTION when you put
the `fast-install' option into LT_INIT's first parameter.])
])
AU_DEFUN([AC_DISABLE_FAST_INSTALL],
[_LT_SET_OPTION([LT_INIT], [disable-fast-install])
AC_DIAGNOSE([obsolete],
[$0: Remove this warning and the call to _LT_SET_OPTION when you put
the `disable-fast-install' option into LT_INIT's first parameter.])
])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_ENABLE_FAST_INSTALL], [])
dnl AC_DEFUN([AM_DISABLE_FAST_INSTALL], [])
# _LT_WITH_PIC([MODE])
# --------------------
# implement the --with-pic flag, and support the `pic-only' and `no-pic'
# LT_INIT options.
# MODE is either `yes' or `no'. If omitted, it defaults to `both'.
m4_define([_LT_WITH_PIC],
[AC_ARG_WITH([pic],
[AS_HELP_STRING([--with-pic@<:@=PKGS@:>@],
[try to use only PIC/non-PIC objects @<:@default=use both@:>@])],
[lt_p=${PACKAGE-default}
case $withval in
yes|no) pic_mode=$withval ;;
*)
pic_mode=default
# Look at the argument we got. We use all the common list separators.
lt_save_ifs="$IFS"; IFS="${IFS}$PATH_SEPARATOR,"
for lt_pkg in $withval; do
IFS="$lt_save_ifs"
if test "X$lt_pkg" = "X$lt_p"; then
pic_mode=yes
fi
done
IFS="$lt_save_ifs"
;;
esac],
[pic_mode=default])
test -z "$pic_mode" && pic_mode=m4_default([$1], [default])
_LT_DECL([], [pic_mode], [0], [What type of objects to build])dnl
])# _LT_WITH_PIC
LT_OPTION_DEFINE([LT_INIT], [pic-only], [_LT_WITH_PIC([yes])])
LT_OPTION_DEFINE([LT_INIT], [no-pic], [_LT_WITH_PIC([no])])
# Old name:
AU_DEFUN([AC_LIBTOOL_PICMODE],
[_LT_SET_OPTION([LT_INIT], [pic-only])
AC_DIAGNOSE([obsolete],
[$0: Remove this warning and the call to _LT_SET_OPTION when you
put the `pic-only' option into LT_INIT's first parameter.])
])
dnl aclocal-1.4 backwards compatibility:
dnl AC_DEFUN([AC_LIBTOOL_PICMODE], [])
## ----------------- ##
## LTDL_INIT Options ##
## ----------------- ##
m4_define([_LTDL_MODE], [])
LT_OPTION_DEFINE([LTDL_INIT], [nonrecursive],
[m4_define([_LTDL_MODE], [nonrecursive])])
LT_OPTION_DEFINE([LTDL_INIT], [recursive],
[m4_define([_LTDL_MODE], [recursive])])
LT_OPTION_DEFINE([LTDL_INIT], [subproject],
[m4_define([_LTDL_MODE], [subproject])])
m4_define([_LTDL_TYPE], [])
LT_OPTION_DEFINE([LTDL_INIT], [installable],
[m4_define([_LTDL_TYPE], [installable])])
LT_OPTION_DEFINE([LTDL_INIT], [convenience],
[m4_define([_LTDL_TYPE], [convenience])])
libxc-2.1.2/m4/ltversion.m4 0000644 0001750 0001750 00000001262 12471363256 012357 0000000 0000000 # ltversion.m4 -- version numbers -*- Autoconf -*-
#
# Copyright (C) 2004 Free Software Foundation, Inc.
# Written by Scott James Remnant, 2004
#
# This file is free software; the Free Software Foundation gives
# unlimited permission to copy and/or distribute it, with or without
# modifications, as long as this notice is preserved.
# @configure_input@
# serial 3337 ltversion.m4
# This file is part of GNU Libtool
m4_define([LT_PACKAGE_VERSION], [2.4.2])
m4_define([LT_PACKAGE_REVISION], [1.3337])
AC_DEFUN([LTVERSION_VERSION],
[macro_version='2.4.2'
macro_revision='1.3337'
_LT_DECL(, macro_version, 0, [Which release of libtool.m4 was used?])
_LT_DECL(, macro_revision, 0)
])
libxc-2.1.2/m4/ax_f90_module_extension.m4 0000664 0001750 0001750 00000002307 12471363260 015057 0000000 0000000 dnl @synopsis AX_F90_MODULE_EXTENSION
dnl
dnl Find Fortran 90 modules file extension. The module extension is
dnl stored in the cached variable ax_cv_f90_modext, or "unknown" if the
dnl extension cannot be found.
dnl
dnl @category Fortran
dnl @author Luc Maisonobe
dnl @version 2005-06-17
dnl @license AllPermissive
AC_DEFUN([AX_F90_MODULE_EXTENSION],[
AC_CACHE_CHECK([fortran 90 modules extension],
ax_cv_f90_modext,
[AC_LANG_PUSH(Fortran)
ax_f90_mod_uppercase=no
i=0
while test \( -f tmpdir_$i \) -o \( -d tmpdir_$i \) ; do
i=`expr $i + 1`
done
mkdir tmpdir_$i
cd tmpdir_$i
AC_COMPILE_IFELSE([module conftest_module
contains
subroutine conftest_routine
write(*,'(a)') 'gotcha!'
end subroutine conftest_routine
end module conftest_module
],
[ax_cv_f90_modext=`ls | sed -n 's,conftest_module\.,,p'`
if test x$ax_cv_f90_modext = x ; then
dnl Some F90 compilers put module filename in uppercase letters
ax_cv_f90_modext=`ls | sed -n 's,CONFTEST_MODULE\.,,p'`
if test x$ax_cv_f90_modext = x ; then
ax_cv_f90_modext=unknown
else
ax_f90_mod_uppercase=yes
fi
fi
],
[ax_cv_f90_modext=unknown])
cd ..
rm -fr tmpdir_$i
AC_LANG_POP(Fortran)
])])
libxc-2.1.2/m4/fcflags.m4 0000664 0001750 0001750 00000005615 12471363260 011742 0000000 0000000 ## Copyright (C) 2002 M. Marques, A. Castro, A. Rubio, G. Bertsch
##
## This program is free software; you can redistribute it and/or modify
## it under the terms of the GNU Lesser General Public License as published by
## the Free Software Foundation; either version 2, or (at your option)
## any later version.
##
## This program is distributed in the hope that it will be useful,
## but WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
## GNU Lesser General Public License for more details.
##
## You should have received a copy of the GNU Lesser General Public License
## along with this program; if not, write to the Free Software
## Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
## 02110-1301, USA.
##
## $Id: fcflags.m4 10979 2013-07-11 15:28:46Z micael $
##
################################################
# Get default FFLAGS
# ----------------------------------
# this function can certainly be improved on
AC_DEFUN([ACX_FCFLAGS],
[
AC_REQUIRE([AC_CANONICAL_HOST])
if test -z "${FCFLAGS}"; then
case "${FC}" in
gfortran*)
FCFLAGS="-pipe -O3 -funroll-loops -ffast-math -ffree-line-length-none"
;;
openf9*)
FCFLAGS="-O3 -funroll-loops -ffast-math"
;;
g95*)
FCFLAGS="-pipe -O3 -funroll-loops -ffast-math"
;;
efc*|ifc*|ifort*)
case "${host}" in
x86_64*)
FCFLAGS="-u -fpp1 -nbs -pc80 -pad -align -unroll -O3 -ip -no-fp-port -mno-ieee-fp -vec-report0 -no-prec-div"
;;
i?86*linux*)
FCFLAGS="-u -fpp1 -nbs -pc80 -pad -align -unroll -O3 -ip -no-fp-port -mno-ieee-fp -vec-report0 -no-prec-div"
a=`echo $host | sed "s/^i//" | sed "s/86.*//"`
if test "$a" -gt 5 ; then
FCFLAGS="$FCFLAGS -tpp7 -xW"
fi
;;
ia64*)
FCFLAGS="-O3 -ip -IPF_fp_relaxed -ftz -fpp -u -align all -pad"
;;
esac
;;
sun*)
case "${host}" in
i?86*linux*|x86_64*)
FCFLAGS="-fast -xprefetch -xvector=simd"
;;
sparc*)
FCFLAGS="-fast"
;;
esac
;;
pathf9*)
FCFLAGS="-O3 -march=auto -mcpu=auto -OPT:Ofast -fno-math-errno -LNO:simd=2 -OPT:align_unsafe=ON"
;;
pgf90*)
FCFLAGS="-O4 -fast -Munroll -Mnoframe -Mdalign"
;;
abf90*)
FCFLAGS="-O3 -YEXT_NAMES=LCS -YEXT_SFX=_"
;;
xlf*)
FCFLAGS="-O3 -qarch=auto -qtune=auto -qcache=auto -qxlf90=autodealloc"
;;
f9*)
case "${host}" in
alphaev*)
FCFLAGS="-align dcommons -fast -tune host -arch host -noautomatic"
;;
mips*)
FCFLAGS="-Ofast -O3"
;;
sparc*)
FCFLAGS="-fast"
;;
*)
FCFLAGS="-O3"
;;
esac
;;
*)
FCFLAGS="-O3"
;;
esac
fi
AC_MSG_NOTICE([Using FCFLAGS="$FCFLAGS"])
])
libxc-2.1.2/missing 0000755 0001750 0001750 00000015331 12471363257 011152 0000000 0000000 #! /bin/sh
# Common wrapper for a few potentially missing GNU programs.
scriptversion=2012-06-26.16; # UTC
# Copyright (C) 1996-2013 Free Software Foundation, Inc.
# Originally written by Fran,cois Pinard , 1996.
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2, or (at your option)
# any later version.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
# You should have received a copy of the GNU General Public License
# along with this program. If not, see .
# As a special exception to the GNU General Public License, if you
# distribute this file as part of a program that contains a
# configuration script generated by Autoconf, you may include it under
# the same distribution terms that you use for the rest of that program.
if test $# -eq 0; then
echo 1>&2 "Try '$0 --help' for more information"
exit 1
fi
case $1 in
--is-lightweight)
# Used by our autoconf macros to check whether the available missing
# script is modern enough.
exit 0
;;
--run)
# Back-compat with the calling convention used by older automake.
shift
;;
-h|--h|--he|--hel|--help)
echo "\
$0 [OPTION]... PROGRAM [ARGUMENT]...
Run 'PROGRAM [ARGUMENT]...', returning a proper advice when this fails due
to PROGRAM being missing or too old.
Options:
-h, --help display this help and exit
-v, --version output version information and exit
Supported PROGRAM values:
aclocal autoconf autoheader autom4te automake makeinfo
bison yacc flex lex help2man
Version suffixes to PROGRAM as well as the prefixes 'gnu-', 'gnu', and
'g' are ignored when checking the name.
Send bug reports to ."
exit $?
;;
-v|--v|--ve|--ver|--vers|--versi|--versio|--version)
echo "missing $scriptversion (GNU Automake)"
exit $?
;;
-*)
echo 1>&2 "$0: unknown '$1' option"
echo 1>&2 "Try '$0 --help' for more information"
exit 1
;;
esac
# Run the given program, remember its exit status.
"$@"; st=$?
# If it succeeded, we are done.
test $st -eq 0 && exit 0
# Also exit now if we it failed (or wasn't found), and '--version' was
# passed; such an option is passed most likely to detect whether the
# program is present and works.
case $2 in --version|--help) exit $st;; esac
# Exit code 63 means version mismatch. This often happens when the user
# tries to use an ancient version of a tool on a file that requires a
# minimum version.
if test $st -eq 63; then
msg="probably too old"
elif test $st -eq 127; then
# Program was missing.
msg="missing on your system"
else
# Program was found and executed, but failed. Give up.
exit $st
fi
perl_URL=http://www.perl.org/
flex_URL=http://flex.sourceforge.net/
gnu_software_URL=http://www.gnu.org/software
program_details ()
{
case $1 in
aclocal|automake)
echo "The '$1' program is part of the GNU Automake package:"
echo "<$gnu_software_URL/automake>"
echo "It also requires GNU Autoconf, GNU m4 and Perl in order to run:"
echo "<$gnu_software_URL/autoconf>"
echo "<$gnu_software_URL/m4/>"
echo "<$perl_URL>"
;;
autoconf|autom4te|autoheader)
echo "The '$1' program is part of the GNU Autoconf package:"
echo "<$gnu_software_URL/autoconf/>"
echo "It also requires GNU m4 and Perl in order to run:"
echo "<$gnu_software_URL/m4/>"
echo "<$perl_URL>"
;;
esac
}
give_advice ()
{
# Normalize program name to check for.
normalized_program=`echo "$1" | sed '
s/^gnu-//; t
s/^gnu//; t
s/^g//; t'`
printf '%s\n' "'$1' is $msg."
configure_deps="'configure.ac' or m4 files included by 'configure.ac'"
case $normalized_program in
autoconf*)
echo "You should only need it if you modified 'configure.ac',"
echo "or m4 files included by it."
program_details 'autoconf'
;;
autoheader*)
echo "You should only need it if you modified 'acconfig.h' or"
echo "$configure_deps."
program_details 'autoheader'
;;
automake*)
echo "You should only need it if you modified 'Makefile.am' or"
echo "$configure_deps."
program_details 'automake'
;;
aclocal*)
echo "You should only need it if you modified 'acinclude.m4' or"
echo "$configure_deps."
program_details 'aclocal'
;;
autom4te*)
echo "You might have modified some maintainer files that require"
echo "the 'automa4te' program to be rebuilt."
program_details 'autom4te'
;;
bison*|yacc*)
echo "You should only need it if you modified a '.y' file."
echo "You may want to install the GNU Bison package:"
echo "<$gnu_software_URL/bison/>"
;;
lex*|flex*)
echo "You should only need it if you modified a '.l' file."
echo "You may want to install the Fast Lexical Analyzer package:"
echo "<$flex_URL>"
;;
help2man*)
echo "You should only need it if you modified a dependency" \
"of a man page."
echo "You may want to install the GNU Help2man package:"
echo "<$gnu_software_URL/help2man/>"
;;
makeinfo*)
echo "You should only need it if you modified a '.texi' file, or"
echo "any other file indirectly affecting the aspect of the manual."
echo "You might want to install the Texinfo package:"
echo "<$gnu_software_URL/texinfo/>"
echo "The spurious makeinfo call might also be the consequence of"
echo "using a buggy 'make' (AIX, DU, IRIX), in which case you might"
echo "want to install GNU make:"
echo "<$gnu_software_URL/make/>"
;;
*)
echo "You might have modified some files without having the proper"
echo "tools for further handling them. Check the 'README' file, it"
echo "often tells you about the needed prerequisites for installing"
echo "this package. You may also peek at any GNU archive site, in"
echo "case some other package contains this missing '$1' program."
;;
esac
}
give_advice "$1" | sed -e '1s/^/WARNING: /' \
-e '2,$s/^/ /' >&2
# Propagate the correct exit status (expected to be 127 for a program
# not found, 63 for a program that failed due to version mismatch).
exit $st
# Local variables:
# eval: (add-hook 'write-file-hooks 'time-stamp)
# time-stamp-start: "scriptversion="
# time-stamp-format: "%:y-%02m-%02d.%02H"
# time-stamp-time-zone: "UTC"
# time-stamp-end: "; # UTC"
# End:
libxc-2.1.2/aclocal.m4 0000664 0001750 0001750 00000114620 12471363575 011421 0000000 0000000 # generated automatically by aclocal 1.13.4 -*- Autoconf -*-
# Copyright (C) 1996-2013 Free Software Foundation, Inc.
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
# PARTICULAR PURPOSE.
m4_ifndef([AC_CONFIG_MACRO_DIRS], [m4_defun([_AM_CONFIG_MACRO_DIRS], [])m4_defun([AC_CONFIG_MACRO_DIRS], [_AM_CONFIG_MACRO_DIRS($@)])])
m4_ifndef([AC_AUTOCONF_VERSION],
[m4_copy([m4_PACKAGE_VERSION], [AC_AUTOCONF_VERSION])])dnl
m4_if(m4_defn([AC_AUTOCONF_VERSION]), [2.69],,
[m4_warning([this file was generated for autoconf 2.69.
You have another version of autoconf. It may work, but is not guaranteed to.
If you have problems, you may need to regenerate the build system entirely.
To do so, use the procedure documented by the package, typically 'autoreconf'.])])
# Copyright (C) 2002-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_AUTOMAKE_VERSION(VERSION)
# ----------------------------
# Automake X.Y traces this macro to ensure aclocal.m4 has been
# generated from the m4 files accompanying Automake X.Y.
# (This private macro should not be called outside this file.)
AC_DEFUN([AM_AUTOMAKE_VERSION],
[am__api_version='1.13'
dnl Some users find AM_AUTOMAKE_VERSION and mistake it for a way to
dnl require some minimum version. Point them to the right macro.
m4_if([$1], [1.13.4], [],
[AC_FATAL([Do not call $0, use AM_INIT_AUTOMAKE([$1]).])])dnl
])
# _AM_AUTOCONF_VERSION(VERSION)
# -----------------------------
# aclocal traces this macro to find the Autoconf version.
# This is a private macro too. Using m4_define simplifies
# the logic in aclocal, which can simply ignore this definition.
m4_define([_AM_AUTOCONF_VERSION], [])
# AM_SET_CURRENT_AUTOMAKE_VERSION
# -------------------------------
# Call AM_AUTOMAKE_VERSION and AM_AUTOMAKE_VERSION so they can be traced.
# This function is AC_REQUIREd by AM_INIT_AUTOMAKE.
AC_DEFUN([AM_SET_CURRENT_AUTOMAKE_VERSION],
[AM_AUTOMAKE_VERSION([1.13.4])dnl
m4_ifndef([AC_AUTOCONF_VERSION],
[m4_copy([m4_PACKAGE_VERSION], [AC_AUTOCONF_VERSION])])dnl
_AM_AUTOCONF_VERSION(m4_defn([AC_AUTOCONF_VERSION]))])
# AM_AUX_DIR_EXPAND -*- Autoconf -*-
# Copyright (C) 2001-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# For projects using AC_CONFIG_AUX_DIR([foo]), Autoconf sets
# $ac_aux_dir to '$srcdir/foo'. In other projects, it is set to
# '$srcdir', '$srcdir/..', or '$srcdir/../..'.
#
# Of course, Automake must honor this variable whenever it calls a
# tool from the auxiliary directory. The problem is that $srcdir (and
# therefore $ac_aux_dir as well) can be either absolute or relative,
# depending on how configure is run. This is pretty annoying, since
# it makes $ac_aux_dir quite unusable in subdirectories: in the top
# source directory, any form will work fine, but in subdirectories a
# relative path needs to be adjusted first.
#
# $ac_aux_dir/missing
# fails when called from a subdirectory if $ac_aux_dir is relative
# $top_srcdir/$ac_aux_dir/missing
# fails if $ac_aux_dir is absolute,
# fails when called from a subdirectory in a VPATH build with
# a relative $ac_aux_dir
#
# The reason of the latter failure is that $top_srcdir and $ac_aux_dir
# are both prefixed by $srcdir. In an in-source build this is usually
# harmless because $srcdir is '.', but things will broke when you
# start a VPATH build or use an absolute $srcdir.
#
# So we could use something similar to $top_srcdir/$ac_aux_dir/missing,
# iff we strip the leading $srcdir from $ac_aux_dir. That would be:
# am_aux_dir='\$(top_srcdir)/'`expr "$ac_aux_dir" : "$srcdir//*\(.*\)"`
# and then we would define $MISSING as
# MISSING="\${SHELL} $am_aux_dir/missing"
# This will work as long as MISSING is not called from configure, because
# unfortunately $(top_srcdir) has no meaning in configure.
# However there are other variables, like CC, which are often used in
# configure, and could therefore not use this "fixed" $ac_aux_dir.
#
# Another solution, used here, is to always expand $ac_aux_dir to an
# absolute PATH. The drawback is that using absolute paths prevent a
# configured tree to be moved without reconfiguration.
AC_DEFUN([AM_AUX_DIR_EXPAND],
[dnl Rely on autoconf to set up CDPATH properly.
AC_PREREQ([2.50])dnl
# expand $ac_aux_dir to an absolute path
am_aux_dir=`cd $ac_aux_dir && pwd`
])
# AM_CONDITIONAL -*- Autoconf -*-
# Copyright (C) 1997-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_CONDITIONAL(NAME, SHELL-CONDITION)
# -------------------------------------
# Define a conditional.
AC_DEFUN([AM_CONDITIONAL],
[AC_PREREQ([2.52])dnl
m4_if([$1], [TRUE], [AC_FATAL([$0: invalid condition: $1])],
[$1], [FALSE], [AC_FATAL([$0: invalid condition: $1])])dnl
AC_SUBST([$1_TRUE])dnl
AC_SUBST([$1_FALSE])dnl
_AM_SUBST_NOTMAKE([$1_TRUE])dnl
_AM_SUBST_NOTMAKE([$1_FALSE])dnl
m4_define([_AM_COND_VALUE_$1], [$2])dnl
if $2; then
$1_TRUE=
$1_FALSE='#'
else
$1_TRUE='#'
$1_FALSE=
fi
AC_CONFIG_COMMANDS_PRE(
[if test -z "${$1_TRUE}" && test -z "${$1_FALSE}"; then
AC_MSG_ERROR([[conditional "$1" was never defined.
Usually this means the macro was only invoked conditionally.]])
fi])])
# Copyright (C) 1999-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# There are a few dirty hacks below to avoid letting 'AC_PROG_CC' be
# written in clear, in which case automake, when reading aclocal.m4,
# will think it sees a *use*, and therefore will trigger all it's
# C support machinery. Also note that it means that autoscan, seeing
# CC etc. in the Makefile, will ask for an AC_PROG_CC use...
# _AM_DEPENDENCIES(NAME)
# ----------------------
# See how the compiler implements dependency checking.
# NAME is "CC", "CXX", "OBJC", "OBJCXX", "UPC", or "GJC".
# We try a few techniques and use that to set a single cache variable.
#
# We don't AC_REQUIRE the corresponding AC_PROG_CC since the latter was
# modified to invoke _AM_DEPENDENCIES(CC); we would have a circular
# dependency, and given that the user is not expected to run this macro,
# just rely on AC_PROG_CC.
AC_DEFUN([_AM_DEPENDENCIES],
[AC_REQUIRE([AM_SET_DEPDIR])dnl
AC_REQUIRE([AM_OUTPUT_DEPENDENCY_COMMANDS])dnl
AC_REQUIRE([AM_MAKE_INCLUDE])dnl
AC_REQUIRE([AM_DEP_TRACK])dnl
m4_if([$1], [CC], [depcc="$CC" am_compiler_list=],
[$1], [CXX], [depcc="$CXX" am_compiler_list=],
[$1], [OBJC], [depcc="$OBJC" am_compiler_list='gcc3 gcc'],
[$1], [OBJCXX], [depcc="$OBJCXX" am_compiler_list='gcc3 gcc'],
[$1], [UPC], [depcc="$UPC" am_compiler_list=],
[$1], [GCJ], [depcc="$GCJ" am_compiler_list='gcc3 gcc'],
[depcc="$$1" am_compiler_list=])
AC_CACHE_CHECK([dependency style of $depcc],
[am_cv_$1_dependencies_compiler_type],
[if test -z "$AMDEP_TRUE" && test -f "$am_depcomp"; then
# We make a subdir and do the tests there. Otherwise we can end up
# making bogus files that we don't know about and never remove. For
# instance it was reported that on HP-UX the gcc test will end up
# making a dummy file named 'D' -- because '-MD' means "put the output
# in D".
rm -rf conftest.dir
mkdir conftest.dir
# Copy depcomp to subdir because otherwise we won't find it if we're
# using a relative directory.
cp "$am_depcomp" conftest.dir
cd conftest.dir
# We will build objects and dependencies in a subdirectory because
# it helps to detect inapplicable dependency modes. For instance
# both Tru64's cc and ICC support -MD to output dependencies as a
# side effect of compilation, but ICC will put the dependencies in
# the current directory while Tru64 will put them in the object
# directory.
mkdir sub
am_cv_$1_dependencies_compiler_type=none
if test "$am_compiler_list" = ""; then
am_compiler_list=`sed -n ['s/^#*\([a-zA-Z0-9]*\))$/\1/p'] < ./depcomp`
fi
am__universal=false
m4_case([$1], [CC],
[case " $depcc " in #(
*\ -arch\ *\ -arch\ *) am__universal=true ;;
esac],
[CXX],
[case " $depcc " in #(
*\ -arch\ *\ -arch\ *) am__universal=true ;;
esac])
for depmode in $am_compiler_list; do
# Setup a source with many dependencies, because some compilers
# like to wrap large dependency lists on column 80 (with \), and
# we should not choose a depcomp mode which is confused by this.
#
# We need to recreate these files for each test, as the compiler may
# overwrite some of them when testing with obscure command lines.
# This happens at least with the AIX C compiler.
: > sub/conftest.c
for i in 1 2 3 4 5 6; do
echo '#include "conftst'$i'.h"' >> sub/conftest.c
# Using ": > sub/conftst$i.h" creates only sub/conftst1.h with
# Solaris 10 /bin/sh.
echo '/* dummy */' > sub/conftst$i.h
done
echo "${am__include} ${am__quote}sub/conftest.Po${am__quote}" > confmf
# We check with '-c' and '-o' for the sake of the "dashmstdout"
# mode. It turns out that the SunPro C++ compiler does not properly
# handle '-M -o', and we need to detect this. Also, some Intel
# versions had trouble with output in subdirs.
am__obj=sub/conftest.${OBJEXT-o}
am__minus_obj="-o $am__obj"
case $depmode in
gcc)
# This depmode causes a compiler race in universal mode.
test "$am__universal" = false || continue
;;
nosideeffect)
# After this tag, mechanisms are not by side-effect, so they'll
# only be used when explicitly requested.
if test "x$enable_dependency_tracking" = xyes; then
continue
else
break
fi
;;
msvc7 | msvc7msys | msvisualcpp | msvcmsys)
# This compiler won't grok '-c -o', but also, the minuso test has
# not run yet. These depmodes are late enough in the game, and
# so weak that their functioning should not be impacted.
am__obj=conftest.${OBJEXT-o}
am__minus_obj=
;;
none) break ;;
esac
if depmode=$depmode \
source=sub/conftest.c object=$am__obj \
depfile=sub/conftest.Po tmpdepfile=sub/conftest.TPo \
$SHELL ./depcomp $depcc -c $am__minus_obj sub/conftest.c \
>/dev/null 2>conftest.err &&
grep sub/conftst1.h sub/conftest.Po > /dev/null 2>&1 &&
grep sub/conftst6.h sub/conftest.Po > /dev/null 2>&1 &&
grep $am__obj sub/conftest.Po > /dev/null 2>&1 &&
${MAKE-make} -s -f confmf > /dev/null 2>&1; then
# icc doesn't choke on unknown options, it will just issue warnings
# or remarks (even with -Werror). So we grep stderr for any message
# that says an option was ignored or not supported.
# When given -MP, icc 7.0 and 7.1 complain thusly:
# icc: Command line warning: ignoring option '-M'; no argument required
# The diagnosis changed in icc 8.0:
# icc: Command line remark: option '-MP' not supported
if (grep 'ignoring option' conftest.err ||
grep 'not supported' conftest.err) >/dev/null 2>&1; then :; else
am_cv_$1_dependencies_compiler_type=$depmode
break
fi
fi
done
cd ..
rm -rf conftest.dir
else
am_cv_$1_dependencies_compiler_type=none
fi
])
AC_SUBST([$1DEPMODE], [depmode=$am_cv_$1_dependencies_compiler_type])
AM_CONDITIONAL([am__fastdep$1], [
test "x$enable_dependency_tracking" != xno \
&& test "$am_cv_$1_dependencies_compiler_type" = gcc3])
])
# AM_SET_DEPDIR
# -------------
# Choose a directory name for dependency files.
# This macro is AC_REQUIREd in _AM_DEPENDENCIES.
AC_DEFUN([AM_SET_DEPDIR],
[AC_REQUIRE([AM_SET_LEADING_DOT])dnl
AC_SUBST([DEPDIR], ["${am__leading_dot}deps"])dnl
])
# AM_DEP_TRACK
# ------------
AC_DEFUN([AM_DEP_TRACK],
[AC_ARG_ENABLE([dependency-tracking], [dnl
AS_HELP_STRING(
[--enable-dependency-tracking],
[do not reject slow dependency extractors])
AS_HELP_STRING(
[--disable-dependency-tracking],
[speeds up one-time build])])
if test "x$enable_dependency_tracking" != xno; then
am_depcomp="$ac_aux_dir/depcomp"
AMDEPBACKSLASH='\'
am__nodep='_no'
fi
AM_CONDITIONAL([AMDEP], [test "x$enable_dependency_tracking" != xno])
AC_SUBST([AMDEPBACKSLASH])dnl
_AM_SUBST_NOTMAKE([AMDEPBACKSLASH])dnl
AC_SUBST([am__nodep])dnl
_AM_SUBST_NOTMAKE([am__nodep])dnl
])
# Generate code to set up dependency tracking. -*- Autoconf -*-
# Copyright (C) 1999-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# _AM_OUTPUT_DEPENDENCY_COMMANDS
# ------------------------------
AC_DEFUN([_AM_OUTPUT_DEPENDENCY_COMMANDS],
[{
# Older Autoconf quotes --file arguments for eval, but not when files
# are listed without --file. Let's play safe and only enable the eval
# if we detect the quoting.
case $CONFIG_FILES in
*\'*) eval set x "$CONFIG_FILES" ;;
*) set x $CONFIG_FILES ;;
esac
shift
for mf
do
# Strip MF so we end up with the name of the file.
mf=`echo "$mf" | sed -e 's/:.*$//'`
# Check whether this is an Automake generated Makefile or not.
# We used to match only the files named 'Makefile.in', but
# some people rename them; so instead we look at the file content.
# Grep'ing the first line is not enough: some people post-process
# each Makefile.in and add a new line on top of each file to say so.
# Grep'ing the whole file is not good either: AIX grep has a line
# limit of 2048, but all sed's we know have understand at least 4000.
if sed -n 's,^#.*generated by automake.*,X,p' "$mf" | grep X >/dev/null 2>&1; then
dirpart=`AS_DIRNAME("$mf")`
else
continue
fi
# Extract the definition of DEPDIR, am__include, and am__quote
# from the Makefile without running 'make'.
DEPDIR=`sed -n 's/^DEPDIR = //p' < "$mf"`
test -z "$DEPDIR" && continue
am__include=`sed -n 's/^am__include = //p' < "$mf"`
test -z "$am__include" && continue
am__quote=`sed -n 's/^am__quote = //p' < "$mf"`
# Find all dependency output files, they are included files with
# $(DEPDIR) in their names. We invoke sed twice because it is the
# simplest approach to changing $(DEPDIR) to its actual value in the
# expansion.
for file in `sed -n "
s/^$am__include $am__quote\(.*(DEPDIR).*\)$am__quote"'$/\1/p' <"$mf" | \
sed -e 's/\$(DEPDIR)/'"$DEPDIR"'/g'`; do
# Make sure the directory exists.
test -f "$dirpart/$file" && continue
fdir=`AS_DIRNAME(["$file"])`
AS_MKDIR_P([$dirpart/$fdir])
# echo "creating $dirpart/$file"
echo '# dummy' > "$dirpart/$file"
done
done
}
])# _AM_OUTPUT_DEPENDENCY_COMMANDS
# AM_OUTPUT_DEPENDENCY_COMMANDS
# -----------------------------
# This macro should only be invoked once -- use via AC_REQUIRE.
#
# This code is only required when automatic dependency tracking
# is enabled. FIXME. This creates each '.P' file that we will
# need in order to bootstrap the dependency handling code.
AC_DEFUN([AM_OUTPUT_DEPENDENCY_COMMANDS],
[AC_CONFIG_COMMANDS([depfiles],
[test x"$AMDEP_TRUE" != x"" || _AM_OUTPUT_DEPENDENCY_COMMANDS],
[AMDEP_TRUE="$AMDEP_TRUE" ac_aux_dir="$ac_aux_dir"])
])
# Do all the work for Automake. -*- Autoconf -*-
# Copyright (C) 1996-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# This macro actually does too much. Some checks are only needed if
# your package does certain things. But this isn't really a big deal.
# AM_INIT_AUTOMAKE(PACKAGE, VERSION, [NO-DEFINE])
# AM_INIT_AUTOMAKE([OPTIONS])
# -----------------------------------------------
# The call with PACKAGE and VERSION arguments is the old style
# call (pre autoconf-2.50), which is being phased out. PACKAGE
# and VERSION should now be passed to AC_INIT and removed from
# the call to AM_INIT_AUTOMAKE.
# We support both call styles for the transition. After
# the next Automake release, Autoconf can make the AC_INIT
# arguments mandatory, and then we can depend on a new Autoconf
# release and drop the old call support.
AC_DEFUN([AM_INIT_AUTOMAKE],
[AC_PREREQ([2.65])dnl
dnl Autoconf wants to disallow AM_ names. We explicitly allow
dnl the ones we care about.
m4_pattern_allow([^AM_[A-Z]+FLAGS$])dnl
AC_REQUIRE([AM_SET_CURRENT_AUTOMAKE_VERSION])dnl
AC_REQUIRE([AC_PROG_INSTALL])dnl
if test "`cd $srcdir && pwd`" != "`pwd`"; then
# Use -I$(srcdir) only when $(srcdir) != ., so that make's output
# is not polluted with repeated "-I."
AC_SUBST([am__isrc], [' -I$(srcdir)'])_AM_SUBST_NOTMAKE([am__isrc])dnl
# test to see if srcdir already configured
if test -f $srcdir/config.status; then
AC_MSG_ERROR([source directory already configured; run "make distclean" there first])
fi
fi
# test whether we have cygpath
if test -z "$CYGPATH_W"; then
if (cygpath --version) >/dev/null 2>/dev/null; then
CYGPATH_W='cygpath -w'
else
CYGPATH_W=echo
fi
fi
AC_SUBST([CYGPATH_W])
# Define the identity of the package.
dnl Distinguish between old-style and new-style calls.
m4_ifval([$2],
[AC_DIAGNOSE([obsolete],
[$0: two- and three-arguments forms are deprecated.])
m4_ifval([$3], [_AM_SET_OPTION([no-define])])dnl
AC_SUBST([PACKAGE], [$1])dnl
AC_SUBST([VERSION], [$2])],
[_AM_SET_OPTIONS([$1])dnl
dnl Diagnose old-style AC_INIT with new-style AM_AUTOMAKE_INIT.
m4_if(
m4_ifdef([AC_PACKAGE_NAME], [ok]):m4_ifdef([AC_PACKAGE_VERSION], [ok]),
[ok:ok],,
[m4_fatal([AC_INIT should be called with package and version arguments])])dnl
AC_SUBST([PACKAGE], ['AC_PACKAGE_TARNAME'])dnl
AC_SUBST([VERSION], ['AC_PACKAGE_VERSION'])])dnl
_AM_IF_OPTION([no-define],,
[AC_DEFINE_UNQUOTED([PACKAGE], ["$PACKAGE"], [Name of package])
AC_DEFINE_UNQUOTED([VERSION], ["$VERSION"], [Version number of package])])dnl
# Some tools Automake needs.
AC_REQUIRE([AM_SANITY_CHECK])dnl
AC_REQUIRE([AC_ARG_PROGRAM])dnl
AM_MISSING_PROG([ACLOCAL], [aclocal-${am__api_version}])
AM_MISSING_PROG([AUTOCONF], [autoconf])
AM_MISSING_PROG([AUTOMAKE], [automake-${am__api_version}])
AM_MISSING_PROG([AUTOHEADER], [autoheader])
AM_MISSING_PROG([MAKEINFO], [makeinfo])
AC_REQUIRE([AM_PROG_INSTALL_SH])dnl
AC_REQUIRE([AM_PROG_INSTALL_STRIP])dnl
AC_REQUIRE([AC_PROG_MKDIR_P])dnl
# For better backward compatibility. To be removed once Automake 1.9.x
# dies out for good. For more background, see:
#
#
AC_SUBST([mkdir_p], ['$(MKDIR_P)'])
# We need awk for the "check" target. The system "awk" is bad on
# some platforms.
AC_REQUIRE([AC_PROG_AWK])dnl
AC_REQUIRE([AC_PROG_MAKE_SET])dnl
AC_REQUIRE([AM_SET_LEADING_DOT])dnl
_AM_IF_OPTION([tar-ustar], [_AM_PROG_TAR([ustar])],
[_AM_IF_OPTION([tar-pax], [_AM_PROG_TAR([pax])],
[_AM_PROG_TAR([v7])])])
_AM_IF_OPTION([no-dependencies],,
[AC_PROVIDE_IFELSE([AC_PROG_CC],
[_AM_DEPENDENCIES([CC])],
[m4_define([AC_PROG_CC],
m4_defn([AC_PROG_CC])[_AM_DEPENDENCIES([CC])])])dnl
AC_PROVIDE_IFELSE([AC_PROG_CXX],
[_AM_DEPENDENCIES([CXX])],
[m4_define([AC_PROG_CXX],
m4_defn([AC_PROG_CXX])[_AM_DEPENDENCIES([CXX])])])dnl
AC_PROVIDE_IFELSE([AC_PROG_OBJC],
[_AM_DEPENDENCIES([OBJC])],
[m4_define([AC_PROG_OBJC],
m4_defn([AC_PROG_OBJC])[_AM_DEPENDENCIES([OBJC])])])dnl
AC_PROVIDE_IFELSE([AC_PROG_OBJCXX],
[_AM_DEPENDENCIES([OBJCXX])],
[m4_define([AC_PROG_OBJCXX],
m4_defn([AC_PROG_OBJCXX])[_AM_DEPENDENCIES([OBJCXX])])])dnl
])
AC_REQUIRE([AM_SILENT_RULES])dnl
dnl The testsuite driver may need to know about EXEEXT, so add the
dnl 'am__EXEEXT' conditional if _AM_COMPILER_EXEEXT was seen. This
dnl macro is hooked onto _AC_COMPILER_EXEEXT early, see below.
AC_CONFIG_COMMANDS_PRE(dnl
[m4_provide_if([_AM_COMPILER_EXEEXT],
[AM_CONDITIONAL([am__EXEEXT], [test -n "$EXEEXT"])])])dnl
])
dnl Hook into '_AC_COMPILER_EXEEXT' early to learn its expansion. Do not
dnl add the conditional right here, as _AC_COMPILER_EXEEXT may be further
dnl mangled by Autoconf and run in a shell conditional statement.
m4_define([_AC_COMPILER_EXEEXT],
m4_defn([_AC_COMPILER_EXEEXT])[m4_provide([_AM_COMPILER_EXEEXT])])
# When config.status generates a header, we must update the stamp-h file.
# This file resides in the same directory as the config header
# that is generated. The stamp files are numbered to have different names.
# Autoconf calls _AC_AM_CONFIG_HEADER_HOOK (when defined) in the
# loop where config.status creates the headers, so we can generate
# our stamp files there.
AC_DEFUN([_AC_AM_CONFIG_HEADER_HOOK],
[# Compute $1's index in $config_headers.
_am_arg=$1
_am_stamp_count=1
for _am_header in $config_headers :; do
case $_am_header in
$_am_arg | $_am_arg:* )
break ;;
* )
_am_stamp_count=`expr $_am_stamp_count + 1` ;;
esac
done
echo "timestamp for $_am_arg" >`AS_DIRNAME(["$_am_arg"])`/stamp-h[]$_am_stamp_count])
# Copyright (C) 2001-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_PROG_INSTALL_SH
# ------------------
# Define $install_sh.
AC_DEFUN([AM_PROG_INSTALL_SH],
[AC_REQUIRE([AM_AUX_DIR_EXPAND])dnl
if test x"${install_sh}" != xset; then
case $am_aux_dir in
*\ * | *\ *)
install_sh="\${SHELL} '$am_aux_dir/install-sh'" ;;
*)
install_sh="\${SHELL} $am_aux_dir/install-sh"
esac
fi
AC_SUBST([install_sh])])
# Copyright (C) 2003-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# Check whether the underlying file-system supports filenames
# with a leading dot. For instance MS-DOS doesn't.
AC_DEFUN([AM_SET_LEADING_DOT],
[rm -rf .tst 2>/dev/null
mkdir .tst 2>/dev/null
if test -d .tst; then
am__leading_dot=.
else
am__leading_dot=_
fi
rmdir .tst 2>/dev/null
AC_SUBST([am__leading_dot])])
# Check to see how 'make' treats includes. -*- Autoconf -*-
# Copyright (C) 2001-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_MAKE_INCLUDE()
# -----------------
# Check to see how make treats includes.
AC_DEFUN([AM_MAKE_INCLUDE],
[am_make=${MAKE-make}
cat > confinc << 'END'
am__doit:
@echo this is the am__doit target
.PHONY: am__doit
END
# If we don't find an include directive, just comment out the code.
AC_MSG_CHECKING([for style of include used by $am_make])
am__include="#"
am__quote=
_am_result=none
# First try GNU make style include.
echo "include confinc" > confmf
# Ignore all kinds of additional output from 'make'.
case `$am_make -s -f confmf 2> /dev/null` in #(
*the\ am__doit\ target*)
am__include=include
am__quote=
_am_result=GNU
;;
esac
# Now try BSD make style include.
if test "$am__include" = "#"; then
echo '.include "confinc"' > confmf
case `$am_make -s -f confmf 2> /dev/null` in #(
*the\ am__doit\ target*)
am__include=.include
am__quote="\""
_am_result=BSD
;;
esac
fi
AC_SUBST([am__include])
AC_SUBST([am__quote])
AC_MSG_RESULT([$_am_result])
rm -f confinc confmf
])
# Copyright (C) 1999-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_PROG_CC_C_O
# --------------
# Like AC_PROG_CC_C_O, but changed for automake.
AC_DEFUN([AM_PROG_CC_C_O],
[AC_REQUIRE([AC_PROG_CC_C_O])dnl
AC_REQUIRE([AM_AUX_DIR_EXPAND])dnl
AC_REQUIRE_AUX_FILE([compile])dnl
# FIXME: we rely on the cache variable name because
# there is no other way.
set dummy $CC
am_cc=`echo $[2] | sed ['s/[^a-zA-Z0-9_]/_/g;s/^[0-9]/_/']`
eval am_t=\$ac_cv_prog_cc_${am_cc}_c_o
if test "$am_t" != yes; then
# Losing compiler, so override with the script.
# FIXME: It is wrong to rewrite CC.
# But if we don't then we get into trouble of one sort or another.
# A longer-term fix would be to have automake use am__CC in this case,
# and then we could set am__CC="\$(top_srcdir)/compile \$(CC)"
CC="$am_aux_dir/compile $CC"
fi
dnl Make sure AC_PROG_CC is never called again, or it will override our
dnl setting of CC.
m4_define([AC_PROG_CC],
[m4_fatal([AC_PROG_CC cannot be called after AM_PROG_CC_C_O])])
])
# Fake the existence of programs that GNU maintainers use. -*- Autoconf -*-
# Copyright (C) 1997-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_MISSING_PROG(NAME, PROGRAM)
# ------------------------------
AC_DEFUN([AM_MISSING_PROG],
[AC_REQUIRE([AM_MISSING_HAS_RUN])
$1=${$1-"${am_missing_run}$2"}
AC_SUBST($1)])
# AM_MISSING_HAS_RUN
# ------------------
# Define MISSING if not defined so far and test if it is modern enough.
# If it is, set am_missing_run to use it, otherwise, to nothing.
AC_DEFUN([AM_MISSING_HAS_RUN],
[AC_REQUIRE([AM_AUX_DIR_EXPAND])dnl
AC_REQUIRE_AUX_FILE([missing])dnl
if test x"${MISSING+set}" != xset; then
case $am_aux_dir in
*\ * | *\ *)
MISSING="\${SHELL} \"$am_aux_dir/missing\"" ;;
*)
MISSING="\${SHELL} $am_aux_dir/missing" ;;
esac
fi
# Use eval to expand $SHELL
if eval "$MISSING --is-lightweight"; then
am_missing_run="$MISSING "
else
am_missing_run=
AC_MSG_WARN(['missing' script is too old or missing])
fi
])
# Helper functions for option handling. -*- Autoconf -*-
# Copyright (C) 2001-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# _AM_MANGLE_OPTION(NAME)
# -----------------------
AC_DEFUN([_AM_MANGLE_OPTION],
[[_AM_OPTION_]m4_bpatsubst($1, [[^a-zA-Z0-9_]], [_])])
# _AM_SET_OPTION(NAME)
# --------------------
# Set option NAME. Presently that only means defining a flag for this option.
AC_DEFUN([_AM_SET_OPTION],
[m4_define(_AM_MANGLE_OPTION([$1]), [1])])
# _AM_SET_OPTIONS(OPTIONS)
# ------------------------
# OPTIONS is a space-separated list of Automake options.
AC_DEFUN([_AM_SET_OPTIONS],
[m4_foreach_w([_AM_Option], [$1], [_AM_SET_OPTION(_AM_Option)])])
# _AM_IF_OPTION(OPTION, IF-SET, [IF-NOT-SET])
# -------------------------------------------
# Execute IF-SET if OPTION is set, IF-NOT-SET otherwise.
AC_DEFUN([_AM_IF_OPTION],
[m4_ifset(_AM_MANGLE_OPTION([$1]), [$2], [$3])])
# Check to make sure that the build environment is sane. -*- Autoconf -*-
# Copyright (C) 1996-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_SANITY_CHECK
# ---------------
AC_DEFUN([AM_SANITY_CHECK],
[AC_MSG_CHECKING([whether build environment is sane])
# Reject unsafe characters in $srcdir or the absolute working directory
# name. Accept space and tab only in the latter.
am_lf='
'
case `pwd` in
*[[\\\"\#\$\&\'\`$am_lf]]*)
AC_MSG_ERROR([unsafe absolute working directory name]);;
esac
case $srcdir in
*[[\\\"\#\$\&\'\`$am_lf\ \ ]]*)
AC_MSG_ERROR([unsafe srcdir value: '$srcdir']);;
esac
# Do 'set' in a subshell so we don't clobber the current shell's
# arguments. Must try -L first in case configure is actually a
# symlink; some systems play weird games with the mod time of symlinks
# (eg FreeBSD returns the mod time of the symlink's containing
# directory).
if (
am_has_slept=no
for am_try in 1 2; do
echo "timestamp, slept: $am_has_slept" > conftest.file
set X `ls -Lt "$srcdir/configure" conftest.file 2> /dev/null`
if test "$[*]" = "X"; then
# -L didn't work.
set X `ls -t "$srcdir/configure" conftest.file`
fi
if test "$[*]" != "X $srcdir/configure conftest.file" \
&& test "$[*]" != "X conftest.file $srcdir/configure"; then
# If neither matched, then we have a broken ls. This can happen
# if, for instance, CONFIG_SHELL is bash and it inherits a
# broken ls alias from the environment. This has actually
# happened. Such a system could not be considered "sane".
AC_MSG_ERROR([ls -t appears to fail. Make sure there is not a broken
alias in your environment])
fi
if test "$[2]" = conftest.file || test $am_try -eq 2; then
break
fi
# Just in case.
sleep 1
am_has_slept=yes
done
test "$[2]" = conftest.file
)
then
# Ok.
:
else
AC_MSG_ERROR([newly created file is older than distributed files!
Check your system clock])
fi
AC_MSG_RESULT([yes])
# If we didn't sleep, we still need to ensure time stamps of config.status and
# generated files are strictly newer.
am_sleep_pid=
if grep 'slept: no' conftest.file >/dev/null 2>&1; then
( sleep 1 ) &
am_sleep_pid=$!
fi
AC_CONFIG_COMMANDS_PRE(
[AC_MSG_CHECKING([that generated files are newer than configure])
if test -n "$am_sleep_pid"; then
# Hide warnings about reused PIDs.
wait $am_sleep_pid 2>/dev/null
fi
AC_MSG_RESULT([done])])
rm -f conftest.file
])
# Copyright (C) 2009-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_SILENT_RULES([DEFAULT])
# --------------------------
# Enable less verbose build rules; with the default set to DEFAULT
# ("yes" being less verbose, "no" or empty being verbose).
AC_DEFUN([AM_SILENT_RULES],
[AC_ARG_ENABLE([silent-rules], [dnl
AS_HELP_STRING(
[--enable-silent-rules],
[less verbose build output (undo: "make V=1")])
AS_HELP_STRING(
[--disable-silent-rules],
[verbose build output (undo: "make V=0")])dnl
])
case $enable_silent_rules in @%:@ (((
yes) AM_DEFAULT_VERBOSITY=0;;
no) AM_DEFAULT_VERBOSITY=1;;
*) AM_DEFAULT_VERBOSITY=m4_if([$1], [yes], [0], [1]);;
esac
dnl
dnl A few 'make' implementations (e.g., NonStop OS and NextStep)
dnl do not support nested variable expansions.
dnl See automake bug#9928 and bug#10237.
am_make=${MAKE-make}
AC_CACHE_CHECK([whether $am_make supports nested variables],
[am_cv_make_support_nested_variables],
[if AS_ECHO([['TRUE=$(BAR$(V))
BAR0=false
BAR1=true
V=1
am__doit:
@$(TRUE)
.PHONY: am__doit']]) | $am_make -f - >/dev/null 2>&1; then
am_cv_make_support_nested_variables=yes
else
am_cv_make_support_nested_variables=no
fi])
if test $am_cv_make_support_nested_variables = yes; then
dnl Using '$V' instead of '$(V)' breaks IRIX make.
AM_V='$(V)'
AM_DEFAULT_V='$(AM_DEFAULT_VERBOSITY)'
else
AM_V=$AM_DEFAULT_VERBOSITY
AM_DEFAULT_V=$AM_DEFAULT_VERBOSITY
fi
AC_SUBST([AM_V])dnl
AM_SUBST_NOTMAKE([AM_V])dnl
AC_SUBST([AM_DEFAULT_V])dnl
AM_SUBST_NOTMAKE([AM_DEFAULT_V])dnl
AC_SUBST([AM_DEFAULT_VERBOSITY])dnl
AM_BACKSLASH='\'
AC_SUBST([AM_BACKSLASH])dnl
_AM_SUBST_NOTMAKE([AM_BACKSLASH])dnl
])
# Copyright (C) 2001-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# AM_PROG_INSTALL_STRIP
# ---------------------
# One issue with vendor 'install' (even GNU) is that you can't
# specify the program used to strip binaries. This is especially
# annoying in cross-compiling environments, where the build's strip
# is unlikely to handle the host's binaries.
# Fortunately install-sh will honor a STRIPPROG variable, so we
# always use install-sh in "make install-strip", and initialize
# STRIPPROG with the value of the STRIP variable (set by the user).
AC_DEFUN([AM_PROG_INSTALL_STRIP],
[AC_REQUIRE([AM_PROG_INSTALL_SH])dnl
# Installed binaries are usually stripped using 'strip' when the user
# run "make install-strip". However 'strip' might not be the right
# tool to use in cross-compilation environments, therefore Automake
# will honor the 'STRIP' environment variable to overrule this program.
dnl Don't test for $cross_compiling = yes, because it might be 'maybe'.
if test "$cross_compiling" != no; then
AC_CHECK_TOOL([STRIP], [strip], :)
fi
INSTALL_STRIP_PROGRAM="\$(install_sh) -c -s"
AC_SUBST([INSTALL_STRIP_PROGRAM])])
# Copyright (C) 2006-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# _AM_SUBST_NOTMAKE(VARIABLE)
# ---------------------------
# Prevent Automake from outputting VARIABLE = @VARIABLE@ in Makefile.in.
# This macro is traced by Automake.
AC_DEFUN([_AM_SUBST_NOTMAKE])
# AM_SUBST_NOTMAKE(VARIABLE)
# --------------------------
# Public sister of _AM_SUBST_NOTMAKE.
AC_DEFUN([AM_SUBST_NOTMAKE], [_AM_SUBST_NOTMAKE($@)])
# Check how to create a tarball. -*- Autoconf -*-
# Copyright (C) 2004-2013 Free Software Foundation, Inc.
#
# This file is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# _AM_PROG_TAR(FORMAT)
# --------------------
# Check how to create a tarball in format FORMAT.
# FORMAT should be one of 'v7', 'ustar', or 'pax'.
#
# Substitute a variable $(am__tar) that is a command
# writing to stdout a FORMAT-tarball containing the directory
# $tardir.
# tardir=directory && $(am__tar) > result.tar
#
# Substitute a variable $(am__untar) that extract such
# a tarball read from stdin.
# $(am__untar) < result.tar
#
AC_DEFUN([_AM_PROG_TAR],
[# Always define AMTAR for backward compatibility. Yes, it's still used
# in the wild :-( We should find a proper way to deprecate it ...
AC_SUBST([AMTAR], ['$${TAR-tar}'])
# We'll loop over all known methods to create a tar archive until one works.
_am_tools='gnutar m4_if([$1], [ustar], [plaintar]) pax cpio none'
m4_if([$1], [v7],
[am__tar='$${TAR-tar} chof - "$$tardir"' am__untar='$${TAR-tar} xf -'],
[m4_case([$1],
[ustar],
[# The POSIX 1988 'ustar' format is defined with fixed-size fields.
# There is notably a 21 bits limit for the UID and the GID. In fact,
# the 'pax' utility can hang on bigger UID/GID (see automake bug#8343
# and bug#13588).
am_max_uid=2097151 # 2^21 - 1
am_max_gid=$am_max_uid
# The $UID and $GID variables are not portable, so we need to resort
# to the POSIX-mandated id(1) utility. Errors in the 'id' calls
# below are definitely unexpected, so allow the users to see them
# (that is, avoid stderr redirection).
am_uid=`id -u || echo unknown`
am_gid=`id -g || echo unknown`
AC_MSG_CHECKING([whether UID '$am_uid' is supported by ustar format])
if test $am_uid -le $am_max_uid; then
AC_MSG_RESULT([yes])
else
AC_MSG_RESULT([no])
_am_tools=none
fi
AC_MSG_CHECKING([whether GID '$am_gid' is supported by ustar format])
if test $am_gid -le $am_max_gid; then
AC_MSG_RESULT([yes])
else
AC_MSG_RESULT([no])
_am_tools=none
fi],
[pax],
[],
[m4_fatal([Unknown tar format])])
AC_MSG_CHECKING([how to create a $1 tar archive])
# Go ahead even if we have the value already cached. We do so because we
# need to set the values for the 'am__tar' and 'am__untar' variables.
_am_tools=${am_cv_prog_tar_$1-$_am_tools}
for _am_tool in $_am_tools; do
case $_am_tool in
gnutar)
for _am_tar in tar gnutar gtar; do
AM_RUN_LOG([$_am_tar --version]) && break
done
am__tar="$_am_tar --format=m4_if([$1], [pax], [posix], [$1]) -chf - "'"$$tardir"'
am__tar_="$_am_tar --format=m4_if([$1], [pax], [posix], [$1]) -chf - "'"$tardir"'
am__untar="$_am_tar -xf -"
;;
plaintar)
# Must skip GNU tar: if it does not support --format= it doesn't create
# ustar tarball either.
(tar --version) >/dev/null 2>&1 && continue
am__tar='tar chf - "$$tardir"'
am__tar_='tar chf - "$tardir"'
am__untar='tar xf -'
;;
pax)
am__tar='pax -L -x $1 -w "$$tardir"'
am__tar_='pax -L -x $1 -w "$tardir"'
am__untar='pax -r'
;;
cpio)
am__tar='find "$$tardir" -print | cpio -o -H $1 -L'
am__tar_='find "$tardir" -print | cpio -o -H $1 -L'
am__untar='cpio -i -H $1 -d'
;;
none)
am__tar=false
am__tar_=false
am__untar=false
;;
esac
# If the value was cached, stop now. We just wanted to have am__tar
# and am__untar set.
test -n "${am_cv_prog_tar_$1}" && break
# tar/untar a dummy directory, and stop if the command works.
rm -rf conftest.dir
mkdir conftest.dir
echo GrepMe > conftest.dir/file
AM_RUN_LOG([tardir=conftest.dir && eval $am__tar_ >conftest.tar])
rm -rf conftest.dir
if test -s conftest.tar; then
AM_RUN_LOG([$am__untar /dev/null 2>&1 && break
fi
done
rm -rf conftest.dir
AC_CACHE_VAL([am_cv_prog_tar_$1], [am_cv_prog_tar_$1=$_am_tool])
AC_MSG_RESULT([$am_cv_prog_tar_$1])])
AC_SUBST([am__tar])
AC_SUBST([am__untar])
]) # _AM_PROG_TAR
m4_include([m4/ac_prog_sed.m4])
m4_include([m4/ax_f90_module_extension.m4])
m4_include([m4/fc_integer.m4])
m4_include([m4/fcflags.m4])
m4_include([m4/fortran.m4])
m4_include([m4/libtool.m4])
m4_include([m4/ltoptions.m4])
m4_include([m4/ltsugar.m4])
m4_include([m4/ltversion.m4])
m4_include([m4/lt~obsolete.m4])
libxc-2.1.2/xc_version.h 0000664 0001750 0001750 00000001714 12471363600 012075 0000000 0000000 /*
Copyright (C) 2012 M.A.L. Marques, M. Oliveira
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#ifndef _XC_VERSION_H
#define _XC_VERSION_H
#ifdef __cplusplus
extern "C" {
#endif
#define XC_VERSION "2.1.2"
#define XC_MAJOR_VERSION 2
#define XC_MINOR_VERSION 1
#ifdef __cplusplus
}
#endif
#endif
libxc-2.1.2/NEWS 0000664 0001750 0001750 00000000773 12471363256 010257 0000000 0000000 *) 2015/02/19 - release of libxc-2.2.2
*) 2015/02/19 - release of libxc-2.1.2
*) 2014/10/30 - release of libxc-2.2.1
*) 2014/10/30 - release of libxc-2.1.1
*) 2014/03/21 - release of libxc-2.2.0
*) 2014/03/21 - release of libxc-2.1.0
*) 2014/02/18 - release of libxc-2.0.3
*) 2013/07/10 - release of libxc-2.0.2
*) 2013/01/21 - release of libxc-2.0.1
*) 2012/11/28 - release of libxc-2.0.0
*) 2011/05/12 - release of libxc-1.1
*) 2010/07/09 - release of libxc-1.0
*) 2009/03/31 - release of libxc-1.0-alpha
libxc-2.1.2/AUTHORS 0000664 0001750 0001750 00000000373 12471363260 010617 0000000 0000000 The main developing authors of this program consists of
* Miguel A. L. Marques (marques@tddft.org)
* Micael Oliveira
* Tobias Burnus
Other contributors are:
* Georg Madsen (XC_GGA_X_PBEA)
* Xavier Andrade
* David Strubbe
* Susi Lehtola
libxc-2.1.2/config.sub 0000755 0001750 0001750 00000105503 12471363257 011537 0000000 0000000 #! /bin/sh
# Configuration validation subroutine script.
# Copyright (C) 1992, 1993, 1994, 1995, 1996, 1997, 1998, 1999,
# 2000, 2001, 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010,
# 2011, 2012, 2013 Free Software Foundation, Inc.
timestamp='2012-12-29'
# This file is free software; you can redistribute it and/or modify it
# under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful, but
# WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
# General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program; if not, see .
#
# As a special exception to the GNU General Public License, if you
# distribute this file as part of a program that contains a
# configuration script generated by Autoconf, you may include it under
# the same distribution terms that you use for the rest of that
# program. This Exception is an additional permission under section 7
# of the GNU General Public License, version 3 ("GPLv3").
# Please send patches with a ChangeLog entry to config-patches@gnu.org.
#
# Configuration subroutine to validate and canonicalize a configuration type.
# Supply the specified configuration type as an argument.
# If it is invalid, we print an error message on stderr and exit with code 1.
# Otherwise, we print the canonical config type on stdout and succeed.
# You can get the latest version of this script from:
# http://git.savannah.gnu.org/gitweb/?p=config.git;a=blob_plain;f=config.sub;hb=HEAD
# This file is supposed to be the same for all GNU packages
# and recognize all the CPU types, system types and aliases
# that are meaningful with *any* GNU software.
# Each package is responsible for reporting which valid configurations
# it does not support. The user should be able to distinguish
# a failure to support a valid configuration from a meaningless
# configuration.
# The goal of this file is to map all the various variations of a given
# machine specification into a single specification in the form:
# CPU_TYPE-MANUFACTURER-OPERATING_SYSTEM
# or in some cases, the newer four-part form:
# CPU_TYPE-MANUFACTURER-KERNEL-OPERATING_SYSTEM
# It is wrong to echo any other type of specification.
me=`echo "$0" | sed -e 's,.*/,,'`
usage="\
Usage: $0 [OPTION] CPU-MFR-OPSYS
$0 [OPTION] ALIAS
Canonicalize a configuration name.
Operation modes:
-h, --help print this help, then exit
-t, --time-stamp print date of last modification, then exit
-v, --version print version number, then exit
Report bugs and patches to ."
version="\
GNU config.sub ($timestamp)
Copyright (C) 1992, 1993, 1994, 1995, 1996, 1997, 1998, 1999, 2000,
2001, 2002, 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011,
2012, 2013 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE."
help="
Try \`$me --help' for more information."
# Parse command line
while test $# -gt 0 ; do
case $1 in
--time-stamp | --time* | -t )
echo "$timestamp" ; exit ;;
--version | -v )
echo "$version" ; exit ;;
--help | --h* | -h )
echo "$usage"; exit ;;
-- ) # Stop option processing
shift; break ;;
- ) # Use stdin as input.
break ;;
-* )
echo "$me: invalid option $1$help"
exit 1 ;;
*local*)
# First pass through any local machine types.
echo $1
exit ;;
* )
break ;;
esac
done
case $# in
0) echo "$me: missing argument$help" >&2
exit 1;;
1) ;;
*) echo "$me: too many arguments$help" >&2
exit 1;;
esac
# Separate what the user gave into CPU-COMPANY and OS or KERNEL-OS (if any).
# Here we must recognize all the valid KERNEL-OS combinations.
maybe_os=`echo $1 | sed 's/^\(.*\)-\([^-]*-[^-]*\)$/\2/'`
case $maybe_os in
nto-qnx* | linux-gnu* | linux-android* | linux-dietlibc | linux-newlib* | \
linux-musl* | linux-uclibc* | uclinux-uclibc* | uclinux-gnu* | kfreebsd*-gnu* | \
knetbsd*-gnu* | netbsd*-gnu* | \
kopensolaris*-gnu* | \
storm-chaos* | os2-emx* | rtmk-nova*)
os=-$maybe_os
basic_machine=`echo $1 | sed 's/^\(.*\)-\([^-]*-[^-]*\)$/\1/'`
;;
android-linux)
os=-linux-android
basic_machine=`echo $1 | sed 's/^\(.*\)-\([^-]*-[^-]*\)$/\1/'`-unknown
;;
*)
basic_machine=`echo $1 | sed 's/-[^-]*$//'`
if [ $basic_machine != $1 ]
then os=`echo $1 | sed 's/.*-/-/'`
else os=; fi
;;
esac
### Let's recognize common machines as not being operating systems so
### that things like config.sub decstation-3100 work. We also
### recognize some manufacturers as not being operating systems, so we
### can provide default operating systems below.
case $os in
-sun*os*)
# Prevent following clause from handling this invalid input.
;;
-dec* | -mips* | -sequent* | -encore* | -pc532* | -sgi* | -sony* | \
-att* | -7300* | -3300* | -delta* | -motorola* | -sun[234]* | \
-unicom* | -ibm* | -next | -hp | -isi* | -apollo | -altos* | \
-convergent* | -ncr* | -news | -32* | -3600* | -3100* | -hitachi* |\
-c[123]* | -convex* | -sun | -crds | -omron* | -dg | -ultra | -tti* | \
-harris | -dolphin | -highlevel | -gould | -cbm | -ns | -masscomp | \
-apple | -axis | -knuth | -cray | -microblaze*)
os=
basic_machine=$1
;;
-bluegene*)
os=-cnk
;;
-sim | -cisco | -oki | -wec | -winbond)
os=
basic_machine=$1
;;
-scout)
;;
-wrs)
os=-vxworks
basic_machine=$1
;;
-chorusos*)
os=-chorusos
basic_machine=$1
;;
-chorusrdb)
os=-chorusrdb
basic_machine=$1
;;
-hiux*)
os=-hiuxwe2
;;
-sco6)
os=-sco5v6
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-sco5)
os=-sco3.2v5
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-sco4)
os=-sco3.2v4
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-sco3.2.[4-9]*)
os=`echo $os | sed -e 's/sco3.2./sco3.2v/'`
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-sco3.2v[4-9]*)
# Don't forget version if it is 3.2v4 or newer.
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-sco5v6*)
# Don't forget version if it is 3.2v4 or newer.
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-sco*)
os=-sco3.2v2
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-udk*)
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-isc)
os=-isc2.2
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-clix*)
basic_machine=clipper-intergraph
;;
-isc*)
basic_machine=`echo $1 | sed -e 's/86-.*/86-pc/'`
;;
-lynx*178)
os=-lynxos178
;;
-lynx*5)
os=-lynxos5
;;
-lynx*)
os=-lynxos
;;
-ptx*)
basic_machine=`echo $1 | sed -e 's/86-.*/86-sequent/'`
;;
-windowsnt*)
os=`echo $os | sed -e 's/windowsnt/winnt/'`
;;
-psos*)
os=-psos
;;
-mint | -mint[0-9]*)
basic_machine=m68k-atari
os=-mint
;;
esac
# Decode aliases for certain CPU-COMPANY combinations.
case $basic_machine in
# Recognize the basic CPU types without company name.
# Some are omitted here because they have special meanings below.
1750a | 580 \
| a29k \
| aarch64 | aarch64_be \
| alpha | alphaev[4-8] | alphaev56 | alphaev6[78] | alphapca5[67] \
| alpha64 | alpha64ev[4-8] | alpha64ev56 | alpha64ev6[78] | alpha64pca5[67] \
| am33_2.0 \
| arc \
| arm | arm[bl]e | arme[lb] | armv[2-8] | armv[3-8][lb] | armv7[arm] \
| avr | avr32 \
| be32 | be64 \
| bfin \
| c4x | clipper \
| d10v | d30v | dlx | dsp16xx \
| epiphany \
| fido | fr30 | frv \
| h8300 | h8500 | hppa | hppa1.[01] | hppa2.0 | hppa2.0[nw] | hppa64 \
| hexagon \
| i370 | i860 | i960 | ia64 \
| ip2k | iq2000 \
| le32 | le64 \
| lm32 \
| m32c | m32r | m32rle | m68000 | m68k | m88k \
| maxq | mb | microblaze | microblazeel | mcore | mep | metag \
| mips | mipsbe | mipseb | mipsel | mipsle \
| mips16 \
| mips64 | mips64el \
| mips64octeon | mips64octeonel \
| mips64orion | mips64orionel \
| mips64r5900 | mips64r5900el \
| mips64vr | mips64vrel \
| mips64vr4100 | mips64vr4100el \
| mips64vr4300 | mips64vr4300el \
| mips64vr5000 | mips64vr5000el \
| mips64vr5900 | mips64vr5900el \
| mipsisa32 | mipsisa32el \
| mipsisa32r2 | mipsisa32r2el \
| mipsisa64 | mipsisa64el \
| mipsisa64r2 | mipsisa64r2el \
| mipsisa64sb1 | mipsisa64sb1el \
| mipsisa64sr71k | mipsisa64sr71kel \
| mipstx39 | mipstx39el \
| mn10200 | mn10300 \
| moxie \
| mt \
| msp430 \
| nds32 | nds32le | nds32be \
| nios | nios2 \
| ns16k | ns32k \
| open8 \
| or32 \
| pdp10 | pdp11 | pj | pjl \
| powerpc | powerpc64 | powerpc64le | powerpcle \
| pyramid \
| rl78 | rx \
| score \
| sh | sh[1234] | sh[24]a | sh[24]aeb | sh[23]e | sh[34]eb | sheb | shbe | shle | sh[1234]le | sh3ele \
| sh64 | sh64le \
| sparc | sparc64 | sparc64b | sparc64v | sparc86x | sparclet | sparclite \
| sparcv8 | sparcv9 | sparcv9b | sparcv9v \
| spu \
| tahoe | tic4x | tic54x | tic55x | tic6x | tic80 | tron \
| ubicom32 \
| v850 | v850e | v850e1 | v850e2 | v850es | v850e2v3 \
| we32k \
| x86 | xc16x | xstormy16 | xtensa \
| z8k | z80)
basic_machine=$basic_machine-unknown
;;
c54x)
basic_machine=tic54x-unknown
;;
c55x)
basic_machine=tic55x-unknown
;;
c6x)
basic_machine=tic6x-unknown
;;
m6811 | m68hc11 | m6812 | m68hc12 | m68hcs12x | picochip)
basic_machine=$basic_machine-unknown
os=-none
;;
m88110 | m680[12346]0 | m683?2 | m68360 | m5200 | v70 | w65 | z8k)
;;
ms1)
basic_machine=mt-unknown
;;
strongarm | thumb | xscale)
basic_machine=arm-unknown
;;
xgate)
basic_machine=$basic_machine-unknown
os=-none
;;
xscaleeb)
basic_machine=armeb-unknown
;;
xscaleel)
basic_machine=armel-unknown
;;
# We use `pc' rather than `unknown'
# because (1) that's what they normally are, and
# (2) the word "unknown" tends to confuse beginning users.
i*86 | x86_64)
basic_machine=$basic_machine-pc
;;
# Object if more than one company name word.
*-*-*)
echo Invalid configuration \`$1\': machine \`$basic_machine\' not recognized 1>&2
exit 1
;;
# Recognize the basic CPU types with company name.
580-* \
| a29k-* \
| aarch64-* | aarch64_be-* \
| alpha-* | alphaev[4-8]-* | alphaev56-* | alphaev6[78]-* \
| alpha64-* | alpha64ev[4-8]-* | alpha64ev56-* | alpha64ev6[78]-* \
| alphapca5[67]-* | alpha64pca5[67]-* | arc-* \
| arm-* | armbe-* | armle-* | armeb-* | armv*-* \
| avr-* | avr32-* \
| be32-* | be64-* \
| bfin-* | bs2000-* \
| c[123]* | c30-* | [cjt]90-* | c4x-* \
| clipper-* | craynv-* | cydra-* \
| d10v-* | d30v-* | dlx-* \
| elxsi-* \
| f30[01]-* | f700-* | fido-* | fr30-* | frv-* | fx80-* \
| h8300-* | h8500-* \
| hppa-* | hppa1.[01]-* | hppa2.0-* | hppa2.0[nw]-* | hppa64-* \
| hexagon-* \
| i*86-* | i860-* | i960-* | ia64-* \
| ip2k-* | iq2000-* \
| le32-* | le64-* \
| lm32-* \
| m32c-* | m32r-* | m32rle-* \
| m68000-* | m680[012346]0-* | m68360-* | m683?2-* | m68k-* \
| m88110-* | m88k-* | maxq-* | mcore-* | metag-* \
| microblaze-* | microblazeel-* \
| mips-* | mipsbe-* | mipseb-* | mipsel-* | mipsle-* \
| mips16-* \
| mips64-* | mips64el-* \
| mips64octeon-* | mips64octeonel-* \
| mips64orion-* | mips64orionel-* \
| mips64r5900-* | mips64r5900el-* \
| mips64vr-* | mips64vrel-* \
| mips64vr4100-* | mips64vr4100el-* \
| mips64vr4300-* | mips64vr4300el-* \
| mips64vr5000-* | mips64vr5000el-* \
| mips64vr5900-* | mips64vr5900el-* \
| mipsisa32-* | mipsisa32el-* \
| mipsisa32r2-* | mipsisa32r2el-* \
| mipsisa64-* | mipsisa64el-* \
| mipsisa64r2-* | mipsisa64r2el-* \
| mipsisa64sb1-* | mipsisa64sb1el-* \
| mipsisa64sr71k-* | mipsisa64sr71kel-* \
| mipstx39-* | mipstx39el-* \
| mmix-* \
| mt-* \
| msp430-* \
| nds32-* | nds32le-* | nds32be-* \
| nios-* | nios2-* \
| none-* | np1-* | ns16k-* | ns32k-* \
| open8-* \
| orion-* \
| pdp10-* | pdp11-* | pj-* | pjl-* | pn-* | power-* \
| powerpc-* | powerpc64-* | powerpc64le-* | powerpcle-* \
| pyramid-* \
| rl78-* | romp-* | rs6000-* | rx-* \
| sh-* | sh[1234]-* | sh[24]a-* | sh[24]aeb-* | sh[23]e-* | sh[34]eb-* | sheb-* | shbe-* \
| shle-* | sh[1234]le-* | sh3ele-* | sh64-* | sh64le-* \
| sparc-* | sparc64-* | sparc64b-* | sparc64v-* | sparc86x-* | sparclet-* \
| sparclite-* \
| sparcv8-* | sparcv9-* | sparcv9b-* | sparcv9v-* | sv1-* | sx?-* \
| tahoe-* \
| tic30-* | tic4x-* | tic54x-* | tic55x-* | tic6x-* | tic80-* \
| tile*-* \
| tron-* \
| ubicom32-* \
| v850-* | v850e-* | v850e1-* | v850es-* | v850e2-* | v850e2v3-* \
| vax-* \
| we32k-* \
| x86-* | x86_64-* | xc16x-* | xps100-* \
| xstormy16-* | xtensa*-* \
| ymp-* \
| z8k-* | z80-*)
;;
# Recognize the basic CPU types without company name, with glob match.
xtensa*)
basic_machine=$basic_machine-unknown
;;
# Recognize the various machine names and aliases which stand
# for a CPU type and a company and sometimes even an OS.
386bsd)
basic_machine=i386-unknown
os=-bsd
;;
3b1 | 7300 | 7300-att | att-7300 | pc7300 | safari | unixpc)
basic_machine=m68000-att
;;
3b*)
basic_machine=we32k-att
;;
a29khif)
basic_machine=a29k-amd
os=-udi
;;
abacus)
basic_machine=abacus-unknown
;;
adobe68k)
basic_machine=m68010-adobe
os=-scout
;;
alliant | fx80)
basic_machine=fx80-alliant
;;
altos | altos3068)
basic_machine=m68k-altos
;;
am29k)
basic_machine=a29k-none
os=-bsd
;;
amd64)
basic_machine=x86_64-pc
;;
amd64-*)
basic_machine=x86_64-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
amdahl)
basic_machine=580-amdahl
os=-sysv
;;
amiga | amiga-*)
basic_machine=m68k-unknown
;;
amigaos | amigados)
basic_machine=m68k-unknown
os=-amigaos
;;
amigaunix | amix)
basic_machine=m68k-unknown
os=-sysv4
;;
apollo68)
basic_machine=m68k-apollo
os=-sysv
;;
apollo68bsd)
basic_machine=m68k-apollo
os=-bsd
;;
aros)
basic_machine=i386-pc
os=-aros
;;
aux)
basic_machine=m68k-apple
os=-aux
;;
balance)
basic_machine=ns32k-sequent
os=-dynix
;;
blackfin)
basic_machine=bfin-unknown
os=-linux
;;
blackfin-*)
basic_machine=bfin-`echo $basic_machine | sed 's/^[^-]*-//'`
os=-linux
;;
bluegene*)
basic_machine=powerpc-ibm
os=-cnk
;;
c54x-*)
basic_machine=tic54x-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
c55x-*)
basic_machine=tic55x-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
c6x-*)
basic_machine=tic6x-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
c90)
basic_machine=c90-cray
os=-unicos
;;
cegcc)
basic_machine=arm-unknown
os=-cegcc
;;
convex-c1)
basic_machine=c1-convex
os=-bsd
;;
convex-c2)
basic_machine=c2-convex
os=-bsd
;;
convex-c32)
basic_machine=c32-convex
os=-bsd
;;
convex-c34)
basic_machine=c34-convex
os=-bsd
;;
convex-c38)
basic_machine=c38-convex
os=-bsd
;;
cray | j90)
basic_machine=j90-cray
os=-unicos
;;
craynv)
basic_machine=craynv-cray
os=-unicosmp
;;
cr16 | cr16-*)
basic_machine=cr16-unknown
os=-elf
;;
crds | unos)
basic_machine=m68k-crds
;;
crisv32 | crisv32-* | etraxfs*)
basic_machine=crisv32-axis
;;
cris | cris-* | etrax*)
basic_machine=cris-axis
;;
crx)
basic_machine=crx-unknown
os=-elf
;;
da30 | da30-*)
basic_machine=m68k-da30
;;
decstation | decstation-3100 | pmax | pmax-* | pmin | dec3100 | decstatn)
basic_machine=mips-dec
;;
decsystem10* | dec10*)
basic_machine=pdp10-dec
os=-tops10
;;
decsystem20* | dec20*)
basic_machine=pdp10-dec
os=-tops20
;;
delta | 3300 | motorola-3300 | motorola-delta \
| 3300-motorola | delta-motorola)
basic_machine=m68k-motorola
;;
delta88)
basic_machine=m88k-motorola
os=-sysv3
;;
dicos)
basic_machine=i686-pc
os=-dicos
;;
djgpp)
basic_machine=i586-pc
os=-msdosdjgpp
;;
dpx20 | dpx20-*)
basic_machine=rs6000-bull
os=-bosx
;;
dpx2* | dpx2*-bull)
basic_machine=m68k-bull
os=-sysv3
;;
ebmon29k)
basic_machine=a29k-amd
os=-ebmon
;;
elxsi)
basic_machine=elxsi-elxsi
os=-bsd
;;
encore | umax | mmax)
basic_machine=ns32k-encore
;;
es1800 | OSE68k | ose68k | ose | OSE)
basic_machine=m68k-ericsson
os=-ose
;;
fx2800)
basic_machine=i860-alliant
;;
genix)
basic_machine=ns32k-ns
;;
gmicro)
basic_machine=tron-gmicro
os=-sysv
;;
go32)
basic_machine=i386-pc
os=-go32
;;
h3050r* | hiux*)
basic_machine=hppa1.1-hitachi
os=-hiuxwe2
;;
h8300hms)
basic_machine=h8300-hitachi
os=-hms
;;
h8300xray)
basic_machine=h8300-hitachi
os=-xray
;;
h8500hms)
basic_machine=h8500-hitachi
os=-hms
;;
harris)
basic_machine=m88k-harris
os=-sysv3
;;
hp300-*)
basic_machine=m68k-hp
;;
hp300bsd)
basic_machine=m68k-hp
os=-bsd
;;
hp300hpux)
basic_machine=m68k-hp
os=-hpux
;;
hp3k9[0-9][0-9] | hp9[0-9][0-9])
basic_machine=hppa1.0-hp
;;
hp9k2[0-9][0-9] | hp9k31[0-9])
basic_machine=m68000-hp
;;
hp9k3[2-9][0-9])
basic_machine=m68k-hp
;;
hp9k6[0-9][0-9] | hp6[0-9][0-9])
basic_machine=hppa1.0-hp
;;
hp9k7[0-79][0-9] | hp7[0-79][0-9])
basic_machine=hppa1.1-hp
;;
hp9k78[0-9] | hp78[0-9])
# FIXME: really hppa2.0-hp
basic_machine=hppa1.1-hp
;;
hp9k8[67]1 | hp8[67]1 | hp9k80[24] | hp80[24] | hp9k8[78]9 | hp8[78]9 | hp9k893 | hp893)
# FIXME: really hppa2.0-hp
basic_machine=hppa1.1-hp
;;
hp9k8[0-9][13679] | hp8[0-9][13679])
basic_machine=hppa1.1-hp
;;
hp9k8[0-9][0-9] | hp8[0-9][0-9])
basic_machine=hppa1.0-hp
;;
hppa-next)
os=-nextstep3
;;
hppaosf)
basic_machine=hppa1.1-hp
os=-osf
;;
hppro)
basic_machine=hppa1.1-hp
os=-proelf
;;
i370-ibm* | ibm*)
basic_machine=i370-ibm
;;
i*86v32)
basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
os=-sysv32
;;
i*86v4*)
basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
os=-sysv4
;;
i*86v)
basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
os=-sysv
;;
i*86sol2)
basic_machine=`echo $1 | sed -e 's/86.*/86-pc/'`
os=-solaris2
;;
i386mach)
basic_machine=i386-mach
os=-mach
;;
i386-vsta | vsta)
basic_machine=i386-unknown
os=-vsta
;;
iris | iris4d)
basic_machine=mips-sgi
case $os in
-irix*)
;;
*)
os=-irix4
;;
esac
;;
isi68 | isi)
basic_machine=m68k-isi
os=-sysv
;;
m68knommu)
basic_machine=m68k-unknown
os=-linux
;;
m68knommu-*)
basic_machine=m68k-`echo $basic_machine | sed 's/^[^-]*-//'`
os=-linux
;;
m88k-omron*)
basic_machine=m88k-omron
;;
magnum | m3230)
basic_machine=mips-mips
os=-sysv
;;
merlin)
basic_machine=ns32k-utek
os=-sysv
;;
microblaze*)
basic_machine=microblaze-xilinx
;;
mingw64)
basic_machine=x86_64-pc
os=-mingw64
;;
mingw32)
basic_machine=i386-pc
os=-mingw32
;;
mingw32ce)
basic_machine=arm-unknown
os=-mingw32ce
;;
miniframe)
basic_machine=m68000-convergent
;;
*mint | -mint[0-9]* | *MiNT | *MiNT[0-9]*)
basic_machine=m68k-atari
os=-mint
;;
mips3*-*)
basic_machine=`echo $basic_machine | sed -e 's/mips3/mips64/'`
;;
mips3*)
basic_machine=`echo $basic_machine | sed -e 's/mips3/mips64/'`-unknown
;;
monitor)
basic_machine=m68k-rom68k
os=-coff
;;
morphos)
basic_machine=powerpc-unknown
os=-morphos
;;
msdos)
basic_machine=i386-pc
os=-msdos
;;
ms1-*)
basic_machine=`echo $basic_machine | sed -e 's/ms1-/mt-/'`
;;
msys)
basic_machine=i386-pc
os=-msys
;;
mvs)
basic_machine=i370-ibm
os=-mvs
;;
nacl)
basic_machine=le32-unknown
os=-nacl
;;
ncr3000)
basic_machine=i486-ncr
os=-sysv4
;;
netbsd386)
basic_machine=i386-unknown
os=-netbsd
;;
netwinder)
basic_machine=armv4l-rebel
os=-linux
;;
news | news700 | news800 | news900)
basic_machine=m68k-sony
os=-newsos
;;
news1000)
basic_machine=m68030-sony
os=-newsos
;;
news-3600 | risc-news)
basic_machine=mips-sony
os=-newsos
;;
necv70)
basic_machine=v70-nec
os=-sysv
;;
next | m*-next )
basic_machine=m68k-next
case $os in
-nextstep* )
;;
-ns2*)
os=-nextstep2
;;
*)
os=-nextstep3
;;
esac
;;
nh3000)
basic_machine=m68k-harris
os=-cxux
;;
nh[45]000)
basic_machine=m88k-harris
os=-cxux
;;
nindy960)
basic_machine=i960-intel
os=-nindy
;;
mon960)
basic_machine=i960-intel
os=-mon960
;;
nonstopux)
basic_machine=mips-compaq
os=-nonstopux
;;
np1)
basic_machine=np1-gould
;;
neo-tandem)
basic_machine=neo-tandem
;;
nse-tandem)
basic_machine=nse-tandem
;;
nsr-tandem)
basic_machine=nsr-tandem
;;
op50n-* | op60c-*)
basic_machine=hppa1.1-oki
os=-proelf
;;
openrisc | openrisc-*)
basic_machine=or32-unknown
;;
os400)
basic_machine=powerpc-ibm
os=-os400
;;
OSE68000 | ose68000)
basic_machine=m68000-ericsson
os=-ose
;;
os68k)
basic_machine=m68k-none
os=-os68k
;;
pa-hitachi)
basic_machine=hppa1.1-hitachi
os=-hiuxwe2
;;
paragon)
basic_machine=i860-intel
os=-osf
;;
parisc)
basic_machine=hppa-unknown
os=-linux
;;
parisc-*)
basic_machine=hppa-`echo $basic_machine | sed 's/^[^-]*-//'`
os=-linux
;;
pbd)
basic_machine=sparc-tti
;;
pbb)
basic_machine=m68k-tti
;;
pc532 | pc532-*)
basic_machine=ns32k-pc532
;;
pc98)
basic_machine=i386-pc
;;
pc98-*)
basic_machine=i386-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
pentium | p5 | k5 | k6 | nexgen | viac3)
basic_machine=i586-pc
;;
pentiumpro | p6 | 6x86 | athlon | athlon_*)
basic_machine=i686-pc
;;
pentiumii | pentium2 | pentiumiii | pentium3)
basic_machine=i686-pc
;;
pentium4)
basic_machine=i786-pc
;;
pentium-* | p5-* | k5-* | k6-* | nexgen-* | viac3-*)
basic_machine=i586-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
pentiumpro-* | p6-* | 6x86-* | athlon-*)
basic_machine=i686-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
pentiumii-* | pentium2-* | pentiumiii-* | pentium3-*)
basic_machine=i686-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
pentium4-*)
basic_machine=i786-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
pn)
basic_machine=pn-gould
;;
power) basic_machine=power-ibm
;;
ppc | ppcbe) basic_machine=powerpc-unknown
;;
ppc-* | ppcbe-*)
basic_machine=powerpc-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
ppcle | powerpclittle | ppc-le | powerpc-little)
basic_machine=powerpcle-unknown
;;
ppcle-* | powerpclittle-*)
basic_machine=powerpcle-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
ppc64) basic_machine=powerpc64-unknown
;;
ppc64-* | ppc64p7-*) basic_machine=powerpc64-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
ppc64le | powerpc64little | ppc64-le | powerpc64-little)
basic_machine=powerpc64le-unknown
;;
ppc64le-* | powerpc64little-*)
basic_machine=powerpc64le-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
ps2)
basic_machine=i386-ibm
;;
pw32)
basic_machine=i586-unknown
os=-pw32
;;
rdos | rdos64)
basic_machine=x86_64-pc
os=-rdos
;;
rdos32)
basic_machine=i386-pc
os=-rdos
;;
rom68k)
basic_machine=m68k-rom68k
os=-coff
;;
rm[46]00)
basic_machine=mips-siemens
;;
rtpc | rtpc-*)
basic_machine=romp-ibm
;;
s390 | s390-*)
basic_machine=s390-ibm
;;
s390x | s390x-*)
basic_machine=s390x-ibm
;;
sa29200)
basic_machine=a29k-amd
os=-udi
;;
sb1)
basic_machine=mipsisa64sb1-unknown
;;
sb1el)
basic_machine=mipsisa64sb1el-unknown
;;
sde)
basic_machine=mipsisa32-sde
os=-elf
;;
sei)
basic_machine=mips-sei
os=-seiux
;;
sequent)
basic_machine=i386-sequent
;;
sh)
basic_machine=sh-hitachi
os=-hms
;;
sh5el)
basic_machine=sh5le-unknown
;;
sh64)
basic_machine=sh64-unknown
;;
sparclite-wrs | simso-wrs)
basic_machine=sparclite-wrs
os=-vxworks
;;
sps7)
basic_machine=m68k-bull
os=-sysv2
;;
spur)
basic_machine=spur-unknown
;;
st2000)
basic_machine=m68k-tandem
;;
stratus)
basic_machine=i860-stratus
os=-sysv4
;;
strongarm-* | thumb-*)
basic_machine=arm-`echo $basic_machine | sed 's/^[^-]*-//'`
;;
sun2)
basic_machine=m68000-sun
;;
sun2os3)
basic_machine=m68000-sun
os=-sunos3
;;
sun2os4)
basic_machine=m68000-sun
os=-sunos4
;;
sun3os3)
basic_machine=m68k-sun
os=-sunos3
;;
sun3os4)
basic_machine=m68k-sun
os=-sunos4
;;
sun4os3)
basic_machine=sparc-sun
os=-sunos3
;;
sun4os4)
basic_machine=sparc-sun
os=-sunos4
;;
sun4sol2)
basic_machine=sparc-sun
os=-solaris2
;;
sun3 | sun3-*)
basic_machine=m68k-sun
;;
sun4)
basic_machine=sparc-sun
;;
sun386 | sun386i | roadrunner)
basic_machine=i386-sun
;;
sv1)
basic_machine=sv1-cray
os=-unicos
;;
symmetry)
basic_machine=i386-sequent
os=-dynix
;;
t3e)
basic_machine=alphaev5-cray
os=-unicos
;;
t90)
basic_machine=t90-cray
os=-unicos
;;
tile*)
basic_machine=$basic_machine-unknown
os=-linux-gnu
;;
tx39)
basic_machine=mipstx39-unknown
;;
tx39el)
basic_machine=mipstx39el-unknown
;;
toad1)
basic_machine=pdp10-xkl
os=-tops20
;;
tower | tower-32)
basic_machine=m68k-ncr
;;
tpf)
basic_machine=s390x-ibm
os=-tpf
;;
udi29k)
basic_machine=a29k-amd
os=-udi
;;
ultra3)
basic_machine=a29k-nyu
os=-sym1
;;
v810 | necv810)
basic_machine=v810-nec
os=-none
;;
vaxv)
basic_machine=vax-dec
os=-sysv
;;
vms)
basic_machine=vax-dec
os=-vms
;;
vpp*|vx|vx-*)
basic_machine=f301-fujitsu
;;
vxworks960)
basic_machine=i960-wrs
os=-vxworks
;;
vxworks68)
basic_machine=m68k-wrs
os=-vxworks
;;
vxworks29k)
basic_machine=a29k-wrs
os=-vxworks
;;
w65*)
basic_machine=w65-wdc
os=-none
;;
w89k-*)
basic_machine=hppa1.1-winbond
os=-proelf
;;
xbox)
basic_machine=i686-pc
os=-mingw32
;;
xps | xps100)
basic_machine=xps100-honeywell
;;
xscale-* | xscalee[bl]-*)
basic_machine=`echo $basic_machine | sed 's/^xscale/arm/'`
;;
ymp)
basic_machine=ymp-cray
os=-unicos
;;
z8k-*-coff)
basic_machine=z8k-unknown
os=-sim
;;
z80-*-coff)
basic_machine=z80-unknown
os=-sim
;;
none)
basic_machine=none-none
os=-none
;;
# Here we handle the default manufacturer of certain CPU types. It is in
# some cases the only manufacturer, in others, it is the most popular.
w89k)
basic_machine=hppa1.1-winbond
;;
op50n)
basic_machine=hppa1.1-oki
;;
op60c)
basic_machine=hppa1.1-oki
;;
romp)
basic_machine=romp-ibm
;;
mmix)
basic_machine=mmix-knuth
;;
rs6000)
basic_machine=rs6000-ibm
;;
vax)
basic_machine=vax-dec
;;
pdp10)
# there are many clones, so DEC is not a safe bet
basic_machine=pdp10-unknown
;;
pdp11)
basic_machine=pdp11-dec
;;
we32k)
basic_machine=we32k-att
;;
sh[1234] | sh[24]a | sh[24]aeb | sh[34]eb | sh[1234]le | sh[23]ele)
basic_machine=sh-unknown
;;
sparc | sparcv8 | sparcv9 | sparcv9b | sparcv9v)
basic_machine=sparc-sun
;;
cydra)
basic_machine=cydra-cydrome
;;
orion)
basic_machine=orion-highlevel
;;
orion105)
basic_machine=clipper-highlevel
;;
mac | mpw | mac-mpw)
basic_machine=m68k-apple
;;
pmac | pmac-mpw)
basic_machine=powerpc-apple
;;
*-unknown)
# Make sure to match an already-canonicalized machine name.
;;
*)
echo Invalid configuration \`$1\': machine \`$basic_machine\' not recognized 1>&2
exit 1
;;
esac
# Here we canonicalize certain aliases for manufacturers.
case $basic_machine in
*-digital*)
basic_machine=`echo $basic_machine | sed 's/digital.*/dec/'`
;;
*-commodore*)
basic_machine=`echo $basic_machine | sed 's/commodore.*/cbm/'`
;;
*)
;;
esac
# Decode manufacturer-specific aliases for certain operating systems.
if [ x"$os" != x"" ]
then
case $os in
# First match some system type aliases
# that might get confused with valid system types.
# -solaris* is a basic system type, with this one exception.
-auroraux)
os=-auroraux
;;
-solaris1 | -solaris1.*)
os=`echo $os | sed -e 's|solaris1|sunos4|'`
;;
-solaris)
os=-solaris2
;;
-svr4*)
os=-sysv4
;;
-unixware*)
os=-sysv4.2uw
;;
-gnu/linux*)
os=`echo $os | sed -e 's|gnu/linux|linux-gnu|'`
;;
# First accept the basic system types.
# The portable systems comes first.
# Each alternative MUST END IN A *, to match a version number.
# -sysv* is not here because it comes later, after sysvr4.
-gnu* | -bsd* | -mach* | -minix* | -genix* | -ultrix* | -irix* \
| -*vms* | -sco* | -esix* | -isc* | -aix* | -cnk* | -sunos | -sunos[34]*\
| -hpux* | -unos* | -osf* | -luna* | -dgux* | -auroraux* | -solaris* \
| -sym* | -kopensolaris* \
| -amigaos* | -amigados* | -msdos* | -newsos* | -unicos* | -aof* \
| -aos* | -aros* \
| -nindy* | -vxsim* | -vxworks* | -ebmon* | -hms* | -mvs* \
| -clix* | -riscos* | -uniplus* | -iris* | -rtu* | -xenix* \
| -hiux* | -386bsd* | -knetbsd* | -mirbsd* | -netbsd* \
| -bitrig* | -openbsd* | -solidbsd* \
| -ekkobsd* | -kfreebsd* | -freebsd* | -riscix* | -lynxos* \
| -bosx* | -nextstep* | -cxux* | -aout* | -elf* | -oabi* \
| -ptx* | -coff* | -ecoff* | -winnt* | -domain* | -vsta* \
| -udi* | -eabi* | -lites* | -ieee* | -go32* | -aux* \
| -chorusos* | -chorusrdb* | -cegcc* \
| -cygwin* | -msys* | -pe* | -psos* | -moss* | -proelf* | -rtems* \
| -mingw32* | -mingw64* | -linux-gnu* | -linux-android* \
| -linux-newlib* | -linux-musl* | -linux-uclibc* \
| -uxpv* | -beos* | -mpeix* | -udk* \
| -interix* | -uwin* | -mks* | -rhapsody* | -darwin* | -opened* \
| -openstep* | -oskit* | -conix* | -pw32* | -nonstopux* \
| -storm-chaos* | -tops10* | -tenex* | -tops20* | -its* \
| -os2* | -vos* | -palmos* | -uclinux* | -nucleus* \
| -morphos* | -superux* | -rtmk* | -rtmk-nova* | -windiss* \
| -powermax* | -dnix* | -nx6 | -nx7 | -sei* | -dragonfly* \
| -skyos* | -haiku* | -rdos* | -toppers* | -drops* | -es*)
# Remember, each alternative MUST END IN *, to match a version number.
;;
-qnx*)
case $basic_machine in
x86-* | i*86-*)
;;
*)
os=-nto$os
;;
esac
;;
-nto-qnx*)
;;
-nto*)
os=`echo $os | sed -e 's|nto|nto-qnx|'`
;;
-sim | -es1800* | -hms* | -xray | -os68k* | -none* | -v88r* \
| -windows* | -osx | -abug | -netware* | -os9* | -beos* | -haiku* \
| -macos* | -mpw* | -magic* | -mmixware* | -mon960* | -lnews*)
;;
-mac*)
os=`echo $os | sed -e 's|mac|macos|'`
;;
-linux-dietlibc)
os=-linux-dietlibc
;;
-linux*)
os=`echo $os | sed -e 's|linux|linux-gnu|'`
;;
-sunos5*)
os=`echo $os | sed -e 's|sunos5|solaris2|'`
;;
-sunos6*)
os=`echo $os | sed -e 's|sunos6|solaris3|'`
;;
-opened*)
os=-openedition
;;
-os400*)
os=-os400
;;
-wince*)
os=-wince
;;
-osfrose*)
os=-osfrose
;;
-osf*)
os=-osf
;;
-utek*)
os=-bsd
;;
-dynix*)
os=-bsd
;;
-acis*)
os=-aos
;;
-atheos*)
os=-atheos
;;
-syllable*)
os=-syllable
;;
-386bsd)
os=-bsd
;;
-ctix* | -uts*)
os=-sysv
;;
-nova*)
os=-rtmk-nova
;;
-ns2 )
os=-nextstep2
;;
-nsk*)
os=-nsk
;;
# Preserve the version number of sinix5.
-sinix5.*)
os=`echo $os | sed -e 's|sinix|sysv|'`
;;
-sinix*)
os=-sysv4
;;
-tpf*)
os=-tpf
;;
-triton*)
os=-sysv3
;;
-oss*)
os=-sysv3
;;
-svr4)
os=-sysv4
;;
-svr3)
os=-sysv3
;;
-sysvr4)
os=-sysv4
;;
# This must come after -sysvr4.
-sysv*)
;;
-ose*)
os=-ose
;;
-es1800*)
os=-ose
;;
-xenix)
os=-xenix
;;
-*mint | -mint[0-9]* | -*MiNT | -MiNT[0-9]*)
os=-mint
;;
-aros*)
os=-aros
;;
-kaos*)
os=-kaos
;;
-zvmoe)
os=-zvmoe
;;
-dicos*)
os=-dicos
;;
-nacl*)
;;
-none)
;;
*)
# Get rid of the `-' at the beginning of $os.
os=`echo $os | sed 's/[^-]*-//'`
echo Invalid configuration \`$1\': system \`$os\' not recognized 1>&2
exit 1
;;
esac
else
# Here we handle the default operating systems that come with various machines.
# The value should be what the vendor currently ships out the door with their
# machine or put another way, the most popular os provided with the machine.
# Note that if you're going to try to match "-MANUFACTURER" here (say,
# "-sun"), then you have to tell the case statement up towards the top
# that MANUFACTURER isn't an operating system. Otherwise, code above
# will signal an error saying that MANUFACTURER isn't an operating
# system, and we'll never get to this point.
case $basic_machine in
score-*)
os=-elf
;;
spu-*)
os=-elf
;;
*-acorn)
os=-riscix1.2
;;
arm*-rebel)
os=-linux
;;
arm*-semi)
os=-aout
;;
c4x-* | tic4x-*)
os=-coff
;;
hexagon-*)
os=-elf
;;
tic54x-*)
os=-coff
;;
tic55x-*)
os=-coff
;;
tic6x-*)
os=-coff
;;
# This must come before the *-dec entry.
pdp10-*)
os=-tops20
;;
pdp11-*)
os=-none
;;
*-dec | vax-*)
os=-ultrix4.2
;;
m68*-apollo)
os=-domain
;;
i386-sun)
os=-sunos4.0.2
;;
m68000-sun)
os=-sunos3
;;
m68*-cisco)
os=-aout
;;
mep-*)
os=-elf
;;
mips*-cisco)
os=-elf
;;
mips*-*)
os=-elf
;;
or32-*)
os=-coff
;;
*-tti) # must be before sparc entry or we get the wrong os.
os=-sysv3
;;
sparc-* | *-sun)
os=-sunos4.1.1
;;
*-be)
os=-beos
;;
*-haiku)
os=-haiku
;;
*-ibm)
os=-aix
;;
*-knuth)
os=-mmixware
;;
*-wec)
os=-proelf
;;
*-winbond)
os=-proelf
;;
*-oki)
os=-proelf
;;
*-hp)
os=-hpux
;;
*-hitachi)
os=-hiux
;;
i860-* | *-att | *-ncr | *-altos | *-motorola | *-convergent)
os=-sysv
;;
*-cbm)
os=-amigaos
;;
*-dg)
os=-dgux
;;
*-dolphin)
os=-sysv3
;;
m68k-ccur)
os=-rtu
;;
m88k-omron*)
os=-luna
;;
*-next )
os=-nextstep
;;
*-sequent)
os=-ptx
;;
*-crds)
os=-unos
;;
*-ns)
os=-genix
;;
i370-*)
os=-mvs
;;
*-next)
os=-nextstep3
;;
*-gould)
os=-sysv
;;
*-highlevel)
os=-bsd
;;
*-encore)
os=-bsd
;;
*-sgi)
os=-irix
;;
*-siemens)
os=-sysv4
;;
*-masscomp)
os=-rtu
;;
f30[01]-fujitsu | f700-fujitsu)
os=-uxpv
;;
*-rom68k)
os=-coff
;;
*-*bug)
os=-coff
;;
*-apple)
os=-macos
;;
*-atari*)
os=-mint
;;
*)
os=-none
;;
esac
fi
# Here we handle the case where we know the os, and the CPU type, but not the
# manufacturer. We pick the logical manufacturer.
vendor=unknown
case $basic_machine in
*-unknown)
case $os in
-riscix*)
vendor=acorn
;;
-sunos*)
vendor=sun
;;
-cnk*|-aix*)
vendor=ibm
;;
-beos*)
vendor=be
;;
-hpux*)
vendor=hp
;;
-mpeix*)
vendor=hp
;;
-hiux*)
vendor=hitachi
;;
-unos*)
vendor=crds
;;
-dgux*)
vendor=dg
;;
-luna*)
vendor=omron
;;
-genix*)
vendor=ns
;;
-mvs* | -opened*)
vendor=ibm
;;
-os400*)
vendor=ibm
;;
-ptx*)
vendor=sequent
;;
-tpf*)
vendor=ibm
;;
-vxsim* | -vxworks* | -windiss*)
vendor=wrs
;;
-aux*)
vendor=apple
;;
-hms*)
vendor=hitachi
;;
-mpw* | -macos*)
vendor=apple
;;
-*mint | -mint[0-9]* | -*MiNT | -MiNT[0-9]*)
vendor=atari
;;
-vos*)
vendor=stratus
;;
esac
basic_machine=`echo $basic_machine | sed "s/unknown/$vendor/"`
;;
esac
echo $basic_machine$os
exit
# Local variables:
# eval: (add-hook 'write-file-hooks 'time-stamp)
# time-stamp-start: "timestamp='"
# time-stamp-format: "%:y-%02m-%02d"
# time-stamp-end: "'"
# End:
libxc-2.1.2/configure.ac 0000664 0001750 0001750 00000011546 12471363322 012040 0000000 0000000 ## Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
##
## This program is free software; you can redistribute it and/or modify
## it under the terms of the GNU Lesser General Public License as published by
## the Free Software Foundation; either version 2, or (at your option)
## any later version.
##
## This program is distributed in the hope that it will be useful,
## but WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
## GNU Lesser General Public License for more details.
##
## You should have received a copy of the GNU Lesser General Public License
## along with this program; if not, write to the Free Software
## Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
## 02110-1301, USA.
##
## $Id: configure.ac 2422 2006-09-23 20:43:15Z marques $
AC_INIT([libxc],[2.1.2],[libxc@tddft.org],[libxc],[http://www.tddft.org/programs/Libxc])
AC_CONFIG_SRCDIR([src/xc.h])
AM_INIT_AUTOMAKE
AC_CONFIG_HEADERS([config.h])
AC_CONFIG_MACRO_DIR([m4])
# Library versioning (C:R:A == current:revision:age)
# See the libtool manual for an explanation of the numbers
#
# libxc-2.0.0 1:0:0
# libxc-2.0.1 1:1:0
# libxc-2.0.2 1:2:0
# libxc-2.0.3 1:3:0
# libxc-2.1.0 2:0:1
# libxc-2.1.1 2:1:1
# libxc-2.1.2 2:2:1
#
# Note that libtool versioning was not used prior to libxc-2.0.
# Because of this, we will start counting at 1.
#
# How to update library version number
# ====================================
#
# C: increment if the interface has additions, changes, removals.
#
# R: increment any time the source changes; set to 0 if you
# incremented CURRENT
#
# A: increment if any interfaces have been added; set to 0 if any
# interfaces have been removed. removal has precedence over adding,
# so set to 0 if both happened.
XC_CURRENT=2
XC_REVISION=2
XC_AGE=1
XC_LT_VERSION="${XC_CURRENT}:${XC_REVISION}:${XC_AGE}"
AC_SUBST(XC_LT_VERSION)
# Split VERSION into XC_VERSION_MAJOR and XC_VERSION_MINOR
# Follows AX_SPLIT_VERSION macro from AC-Archive
# Rhys Ulerich
AC_PROG_SED
XC_MAJOR_VERSION=`echo "$VERSION" | $SED 's/\([[^.]][[^.]]*\).*/\1/'`
XC_MINOR_VERSION=`echo "$VERSION" | $SED 's/[[^.]][[^.]]*.\([[^.]][[^.]]*\).*/\1/'`
AC_SUBST(XC_MAJOR_VERSION)
AC_SUBST(XC_MINOR_VERSION)
# Installation prefix by default
AC_PREFIX_DEFAULT([/opt/etsf])
AC_DISABLE_SHARED
AC_PROG_LIBTOOL
# Checks for programs.
AC_PROG_CC
AC_LANG_PREPROC
AM_PROG_CC_C_O
AC_C_INLINE
# Checks for header files.
AC_HEADER_STDC
AC_FUNC_ALLOCA
# Checks for typedefs, structures, and compiler characteristics.
AC_CHECK_SIZEOF(void*)
# Check for presence of some C99 libm functions
AC_CHECK_LIB([m],[sqrtf],[AC_DEFINE([HAVE_SQRTF],[1],[libm includes sqrtf])])
AC_CHECK_LIB([m],[cbrt],[AC_DEFINE([HAVE_CBRT],[1],[libm includes cbrt])])
AC_CHECK_LIB([m],[cbrtf],[AC_DEFINE([HAVE_CBRTF],[1],[libm includes cbrtf])])
AC_CHECK_LIB([m],[feenableexcept],[AC_DEFINE([HAVE_FEENABLEEXCEPT],[1],[libm includes feenableexcept])])
dnl build/install fortran bits unless --disable-fortran is used
AC_ARG_ENABLE([fortran],
AS_HELP_STRING([--disable-fortran], [don't build/install fortran components]),
[ac_cv_build_fortran=$enableval],
[ac_cv_build_fortran=yes])
AM_CONDITIONAL([ENABLE_FORTRAN], [test $ac_cv_build_fortran = yes])
if test $ac_cv_build_fortran = yes; then
HAVE_FORTRAN=1
AC_DEFINE(HAVE_FORTRAN, [1], [Defined if libxc is compiled with fortran support])
dnl try to find out what is the default FORTRAN 90 compiler
acx_save_fcflags="${FCFLAGS}"
AC_PROG_FC([], [Fortran 90])
if test x"$FC" = x; then
AC_MSG_ERROR([could not find Fortran 90 compiler])
fi
AC_LANG_PUSH(Fortran)
AC_FC_SRCEXT(f90)
FCFLAGS="${acx_save_fcflags}"
dnl Fortran default flags
ACX_FCFLAGS
dnl libxc needs the preprocessor. The result goes to FCCPP
ACX_FCCPP
dnl how Fortran mangles function names
AC_FC_WRAPPERS
dnl check whether we have or not a compiler that allows for very long lines...
ACX_LONG_FORTRAN_LINES
dnl check whether the Fortran 90 compiler accepts line markers cast by the preprocessor.
ACX_F90_ACCEPTS_LINE_NUMBERS
AX_F90_MODULE_EXTENSION
dnl Need to know the size of a Fortran integer
ACX_FC_INTEGER_SIZE
ACX_CC_FORTRAN_INT
AC_LANG_POP([Fortran])
else
HAVE_FORTRAN=0
fi
AC_SUBST(ax_cv_f90_modext)
AM_CONDITIONAL(F90_MOD_UPPERCASE, [test x$ax_f90_mod_uppercase = xyes])
AM_CONDITIONAL(COMPILE_FORTRAN, test x${HAVE_FORTRAN} = x1)
dnl should I compile libxc in single precision?
AC_ARG_ENABLE([single],
AS_HELP_STRING([--enable-single], [compile libxc in single precision]),
[ac_cv_single_prec=$enableval],
[ac_cv_single_prec=no])
AM_CONDITIONAL(COMPILE_SINGLE, test $ac_cv_single_prec = yes)
AC_CONFIG_FILES([Makefile
xc_version.h
src/Makefile
testsuite/Makefile
build/Makefile
build/libxc.pc
build/libxc.spec
])
AC_OUTPUT
libxc-2.1.2/Makefile.in 0000664 0001750 0001750 00000067462 12471363576 011642 0000000 0000000 # Makefile.in generated by automake 1.13.4 from Makefile.am.
# @configure_input@
# Copyright (C) 1994-2013 Free Software Foundation, Inc.
# This Makefile.in is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
# PARTICULAR PURPOSE.
@SET_MAKE@
VPATH = @srcdir@
am__is_gnu_make = test -n '$(MAKEFILE_LIST)' && test -n '$(MAKELEVEL)'
am__make_running_with_option = \
case $${target_option-} in \
?) ;; \
*) echo "am__make_running_with_option: internal error: invalid" \
"target option '$${target_option-}' specified" >&2; \
exit 1;; \
esac; \
has_opt=no; \
sane_makeflags=$$MAKEFLAGS; \
if $(am__is_gnu_make); then \
sane_makeflags=$$MFLAGS; \
else \
case $$MAKEFLAGS in \
*\\[\ \ ]*) \
bs=\\; \
sane_makeflags=`printf '%s\n' "$$MAKEFLAGS" \
| sed "s/$$bs$$bs[$$bs $$bs ]*//g"`;; \
esac; \
fi; \
skip_next=no; \
strip_trailopt () \
{ \
flg=`printf '%s\n' "$$flg" | sed "s/$$1.*$$//"`; \
}; \
for flg in $$sane_makeflags; do \
test $$skip_next = yes && { skip_next=no; continue; }; \
case $$flg in \
*=*|--*) continue;; \
-*I) strip_trailopt 'I'; skip_next=yes;; \
-*I?*) strip_trailopt 'I';; \
-*O) strip_trailopt 'O'; skip_next=yes;; \
-*O?*) strip_trailopt 'O';; \
-*l) strip_trailopt 'l'; skip_next=yes;; \
-*l?*) strip_trailopt 'l';; \
-[dEDm]) skip_next=yes;; \
-[JT]) skip_next=yes;; \
esac; \
case $$flg in \
*$$target_option*) has_opt=yes; break;; \
esac; \
done; \
test $$has_opt = yes
am__make_dryrun = (target_option=n; $(am__make_running_with_option))
am__make_keepgoing = (target_option=k; $(am__make_running_with_option))
pkgdatadir = $(datadir)/@PACKAGE@
pkgincludedir = $(includedir)/@PACKAGE@
pkglibdir = $(libdir)/@PACKAGE@
pkglibexecdir = $(libexecdir)/@PACKAGE@
am__cd = CDPATH="$${ZSH_VERSION+.}$(PATH_SEPARATOR)" && cd
install_sh_DATA = $(install_sh) -c -m 644
install_sh_PROGRAM = $(install_sh) -c
install_sh_SCRIPT = $(install_sh) -c
INSTALL_HEADER = $(INSTALL_DATA)
transform = $(program_transform_name)
NORMAL_INSTALL = :
PRE_INSTALL = :
POST_INSTALL = :
NORMAL_UNINSTALL = :
PRE_UNINSTALL = :
POST_UNINSTALL = :
build_triplet = @build@
host_triplet = @host@
subdir = .
DIST_COMMON = INSTALL NEWS README AUTHORS ChangeLog \
$(srcdir)/Makefile.in $(srcdir)/Makefile.am \
$(top_srcdir)/configure $(am__configure_deps) \
$(srcdir)/config.h.in $(srcdir)/xc_version.h.in \
$(include_HEADERS) COPYING TODO compile config.guess \
config.sub depcomp install-sh missing ltmain.sh
ACLOCAL_M4 = $(top_srcdir)/aclocal.m4
am__aclocal_m4_deps = $(top_srcdir)/m4/ac_prog_sed.m4 \
$(top_srcdir)/m4/ax_f90_module_extension.m4 \
$(top_srcdir)/m4/fc_integer.m4 $(top_srcdir)/m4/fcflags.m4 \
$(top_srcdir)/m4/fortran.m4 $(top_srcdir)/m4/libtool.m4 \
$(top_srcdir)/m4/ltoptions.m4 $(top_srcdir)/m4/ltsugar.m4 \
$(top_srcdir)/m4/ltversion.m4 $(top_srcdir)/m4/lt~obsolete.m4 \
$(top_srcdir)/configure.ac
am__configure_deps = $(am__aclocal_m4_deps) $(CONFIGURE_DEPENDENCIES) \
$(ACLOCAL_M4)
am__CONFIG_DISTCLEAN_FILES = config.status config.cache config.log \
configure.lineno config.status.lineno
mkinstalldirs = $(install_sh) -d
CONFIG_HEADER = config.h
CONFIG_CLEAN_FILES = xc_version.h
CONFIG_CLEAN_VPATH_FILES =
AM_V_P = $(am__v_P_@AM_V@)
am__v_P_ = $(am__v_P_@AM_DEFAULT_V@)
am__v_P_0 = false
am__v_P_1 = :
AM_V_GEN = $(am__v_GEN_@AM_V@)
am__v_GEN_ = $(am__v_GEN_@AM_DEFAULT_V@)
am__v_GEN_0 = @echo " GEN " $@;
am__v_GEN_1 =
AM_V_at = $(am__v_at_@AM_V@)
am__v_at_ = $(am__v_at_@AM_DEFAULT_V@)
am__v_at_0 = @
am__v_at_1 =
SOURCES =
DIST_SOURCES =
RECURSIVE_TARGETS = all-recursive check-recursive cscopelist-recursive \
ctags-recursive dvi-recursive html-recursive info-recursive \
install-data-recursive install-dvi-recursive \
install-exec-recursive install-html-recursive \
install-info-recursive install-pdf-recursive \
install-ps-recursive install-recursive installcheck-recursive \
installdirs-recursive pdf-recursive ps-recursive \
tags-recursive uninstall-recursive
am__can_run_installinfo = \
case $$AM_UPDATE_INFO_DIR in \
n|no|NO) false;; \
*) (install-info --version) >/dev/null 2>&1;; \
esac
am__vpath_adj_setup = srcdirstrip=`echo "$(srcdir)" | sed 's|.|.|g'`;
am__vpath_adj = case $$p in \
$(srcdir)/*) f=`echo "$$p" | sed "s|^$$srcdirstrip/||"`;; \
*) f=$$p;; \
esac;
am__strip_dir = f=`echo $$p | sed -e 's|^.*/||'`;
am__install_max = 40
am__nobase_strip_setup = \
srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*|]/\\\\&/g'`
am__nobase_strip = \
for p in $$list; do echo "$$p"; done | sed -e "s|$$srcdirstrip/||"
am__nobase_list = $(am__nobase_strip_setup); \
for p in $$list; do echo "$$p $$p"; done | \
sed "s| $$srcdirstrip/| |;"' / .*\//!s/ .*/ ./; s,\( .*\)/[^/]*$$,\1,' | \
$(AWK) 'BEGIN { files["."] = "" } { files[$$2] = files[$$2] " " $$1; \
if (++n[$$2] == $(am__install_max)) \
{ print $$2, files[$$2]; n[$$2] = 0; files[$$2] = "" } } \
END { for (dir in files) print dir, files[dir] }'
am__base_list = \
sed '$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;s/\n/ /g' | \
sed '$$!N;$$!N;$$!N;$$!N;s/\n/ /g'
am__uninstall_files_from_dir = { \
test -z "$$files" \
|| { test ! -d "$$dir" && test ! -f "$$dir" && test ! -r "$$dir"; } \
|| { echo " ( cd '$$dir' && rm -f" $$files ")"; \
$(am__cd) "$$dir" && rm -f $$files; }; \
}
am__installdirs = "$(DESTDIR)$(includedir)"
HEADERS = $(include_HEADERS)
RECURSIVE_CLEAN_TARGETS = mostlyclean-recursive clean-recursive \
distclean-recursive maintainer-clean-recursive
am__recursive_targets = \
$(RECURSIVE_TARGETS) \
$(RECURSIVE_CLEAN_TARGETS) \
$(am__extra_recursive_targets)
AM_RECURSIVE_TARGETS = $(am__recursive_targets:-recursive=) TAGS CTAGS \
cscope distdir dist dist-all distcheck
am__tagged_files = $(HEADERS) $(SOURCES) $(TAGS_FILES) \
$(LISP)config.h.in
# Read a list of newline-separated strings from the standard input,
# and print each of them once, without duplicates. Input order is
# *not* preserved.
am__uniquify_input = $(AWK) '\
BEGIN { nonempty = 0; } \
{ items[$$0] = 1; nonempty = 1; } \
END { if (nonempty) { for (i in items) print i; }; } \
'
# Make sure the list of sources is unique. This is necessary because,
# e.g., the same source file might be shared among _SOURCES variables
# for different programs/libraries.
am__define_uniq_tagged_files = \
list='$(am__tagged_files)'; \
unique=`for i in $$list; do \
if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \
done | $(am__uniquify_input)`
ETAGS = etags
CTAGS = ctags
CSCOPE = cscope
DIST_SUBDIRS = $(SUBDIRS)
DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST)
distdir = $(PACKAGE)-$(VERSION)
top_distdir = $(distdir)
am__remove_distdir = \
if test -d "$(distdir)"; then \
find "$(distdir)" -type d ! -perm -200 -exec chmod u+w {} ';' \
&& rm -rf "$(distdir)" \
|| { sleep 5 && rm -rf "$(distdir)"; }; \
else :; fi
am__post_remove_distdir = $(am__remove_distdir)
am__relativize = \
dir0=`pwd`; \
sed_first='s,^\([^/]*\)/.*$$,\1,'; \
sed_rest='s,^[^/]*/*,,'; \
sed_last='s,^.*/\([^/]*\)$$,\1,'; \
sed_butlast='s,/*[^/]*$$,,'; \
while test -n "$$dir1"; do \
first=`echo "$$dir1" | sed -e "$$sed_first"`; \
if test "$$first" != "."; then \
if test "$$first" = ".."; then \
dir2=`echo "$$dir0" | sed -e "$$sed_last"`/"$$dir2"; \
dir0=`echo "$$dir0" | sed -e "$$sed_butlast"`; \
else \
first2=`echo "$$dir2" | sed -e "$$sed_first"`; \
if test "$$first2" = "$$first"; then \
dir2=`echo "$$dir2" | sed -e "$$sed_rest"`; \
else \
dir2="../$$dir2"; \
fi; \
dir0="$$dir0"/"$$first"; \
fi; \
fi; \
dir1=`echo "$$dir1" | sed -e "$$sed_rest"`; \
done; \
reldir="$$dir2"
DIST_ARCHIVES = $(distdir).tar.gz
GZIP_ENV = --best
DIST_TARGETS = dist-gzip
distuninstallcheck_listfiles = find . -type f -print
am__distuninstallcheck_listfiles = $(distuninstallcheck_listfiles) \
| sed 's|^\./|$(prefix)/|' | grep -v '$(infodir)/dir$$'
distcleancheck_listfiles = find . -type f -print
ACLOCAL = @ACLOCAL@
ALLOCA = @ALLOCA@
AMTAR = @AMTAR@
AM_DEFAULT_VERBOSITY = @AM_DEFAULT_VERBOSITY@
AR = @AR@
AUTOCONF = @AUTOCONF@
AUTOHEADER = @AUTOHEADER@
AUTOMAKE = @AUTOMAKE@
AWK = @AWK@
CC = @CC@
CCDEPMODE = @CCDEPMODE@
CFLAGS = @CFLAGS@
CPP = @CPP@
CPPFLAGS = @CPPFLAGS@
CYGPATH_W = @CYGPATH_W@
DEFS = @DEFS@
DEPDIR = @DEPDIR@
DLLTOOL = @DLLTOOL@
DSYMUTIL = @DSYMUTIL@
DUMPBIN = @DUMPBIN@
ECHO_C = @ECHO_C@
ECHO_N = @ECHO_N@
ECHO_T = @ECHO_T@
EGREP = @EGREP@
EXEEXT = @EXEEXT@
F90_ACCEPTS_LINE_NUMBERS = @F90_ACCEPTS_LINE_NUMBERS@
FC = @FC@
FCCPP = @FCCPP@
FCFLAGS = @FCFLAGS@
FCFLAGS_f90 = @FCFLAGS_f90@
FCLIBS = @FCLIBS@
FGREP = @FGREP@
GREP = @GREP@
INSTALL = @INSTALL@
INSTALL_DATA = @INSTALL_DATA@
INSTALL_PROGRAM = @INSTALL_PROGRAM@
INSTALL_SCRIPT = @INSTALL_SCRIPT@
INSTALL_STRIP_PROGRAM = @INSTALL_STRIP_PROGRAM@
LD = @LD@
LDFLAGS = @LDFLAGS@
LIBOBJS = @LIBOBJS@
LIBS = @LIBS@
LIBTOOL = @LIBTOOL@
LIPO = @LIPO@
LN_S = @LN_S@
LONG_LINES = @LONG_LINES@
LTLIBOBJS = @LTLIBOBJS@
MAKEINFO = @MAKEINFO@
MANIFEST_TOOL = @MANIFEST_TOOL@
MKDIR_P = @MKDIR_P@
NM = @NM@
NMEDIT = @NMEDIT@
OBJDUMP = @OBJDUMP@
OBJEXT = @OBJEXT@
OTOOL = @OTOOL@
OTOOL64 = @OTOOL64@
PACKAGE = @PACKAGE@
PACKAGE_BUGREPORT = @PACKAGE_BUGREPORT@
PACKAGE_NAME = @PACKAGE_NAME@
PACKAGE_STRING = @PACKAGE_STRING@
PACKAGE_TARNAME = @PACKAGE_TARNAME@
PACKAGE_URL = @PACKAGE_URL@
PACKAGE_VERSION = @PACKAGE_VERSION@
PATH_SEPARATOR = @PATH_SEPARATOR@
RANLIB = @RANLIB@
SED = @SED@
SET_MAKE = @SET_MAKE@
SHELL = @SHELL@
STRIP = @STRIP@
VERSION = @VERSION@
XC_LT_VERSION = @XC_LT_VERSION@
XC_MAJOR_VERSION = @XC_MAJOR_VERSION@
XC_MINOR_VERSION = @XC_MINOR_VERSION@
abs_builddir = @abs_builddir@
abs_srcdir = @abs_srcdir@
abs_top_builddir = @abs_top_builddir@
abs_top_srcdir = @abs_top_srcdir@
ac_ct_AR = @ac_ct_AR@
ac_ct_CC = @ac_ct_CC@
ac_ct_DUMPBIN = @ac_ct_DUMPBIN@
ac_ct_FC = @ac_ct_FC@
am__include = @am__include@
am__leading_dot = @am__leading_dot@
am__quote = @am__quote@
am__tar = @am__tar@
am__untar = @am__untar@
ax_cv_f90_modext = @ax_cv_f90_modext@
bindir = @bindir@
build = @build@
build_alias = @build_alias@
build_cpu = @build_cpu@
build_os = @build_os@
build_vendor = @build_vendor@
builddir = @builddir@
datadir = @datadir@
datarootdir = @datarootdir@
docdir = @docdir@
dvidir = @dvidir@
exec_prefix = @exec_prefix@
host = @host@
host_alias = @host_alias@
host_cpu = @host_cpu@
host_os = @host_os@
host_vendor = @host_vendor@
htmldir = @htmldir@
includedir = @includedir@
infodir = @infodir@
install_sh = @install_sh@
libdir = @libdir@
libexecdir = @libexecdir@
localedir = @localedir@
localstatedir = @localstatedir@
mandir = @mandir@
mkdir_p = @mkdir_p@
oldincludedir = @oldincludedir@
pdfdir = @pdfdir@
prefix = @prefix@
program_transform_name = @program_transform_name@
psdir = @psdir@
sbindir = @sbindir@
sharedstatedir = @sharedstatedir@
srcdir = @srcdir@
sysconfdir = @sysconfdir@
target_alias = @target_alias@
top_build_prefix = @top_build_prefix@
top_builddir = @top_builddir@
top_srcdir = @top_srcdir@
ACLOCAL_AMFLAGS = -I m4
SUBDIRS = build src testsuite
include_HEADERS = xc_version.h
EXTRA_DIST = ChangeLog PACKAGING TODO
CLEANFILES = *~ *.bak
all: config.h
$(MAKE) $(AM_MAKEFLAGS) all-recursive
.SUFFIXES:
am--refresh: Makefile
@:
$(srcdir)/Makefile.in: $(srcdir)/Makefile.am $(am__configure_deps)
@for dep in $?; do \
case '$(am__configure_deps)' in \
*$$dep*) \
echo ' cd $(srcdir) && $(AUTOMAKE) --gnu'; \
$(am__cd) $(srcdir) && $(AUTOMAKE) --gnu \
&& exit 0; \
exit 1;; \
esac; \
done; \
echo ' cd $(top_srcdir) && $(AUTOMAKE) --gnu Makefile'; \
$(am__cd) $(top_srcdir) && \
$(AUTOMAKE) --gnu Makefile
.PRECIOUS: Makefile
Makefile: $(srcdir)/Makefile.in $(top_builddir)/config.status
@case '$?' in \
*config.status*) \
echo ' $(SHELL) ./config.status'; \
$(SHELL) ./config.status;; \
*) \
echo ' cd $(top_builddir) && $(SHELL) ./config.status $@ $(am__depfiles_maybe)'; \
cd $(top_builddir) && $(SHELL) ./config.status $@ $(am__depfiles_maybe);; \
esac;
$(top_builddir)/config.status: $(top_srcdir)/configure $(CONFIG_STATUS_DEPENDENCIES)
$(SHELL) ./config.status --recheck
$(top_srcdir)/configure: $(am__configure_deps)
$(am__cd) $(srcdir) && $(AUTOCONF)
$(ACLOCAL_M4): $(am__aclocal_m4_deps)
$(am__cd) $(srcdir) && $(ACLOCAL) $(ACLOCAL_AMFLAGS)
$(am__aclocal_m4_deps):
config.h: stamp-h1
@if test ! -f $@; then rm -f stamp-h1; else :; fi
@if test ! -f $@; then $(MAKE) $(AM_MAKEFLAGS) stamp-h1; else :; fi
stamp-h1: $(srcdir)/config.h.in $(top_builddir)/config.status
@rm -f stamp-h1
cd $(top_builddir) && $(SHELL) ./config.status config.h
$(srcdir)/config.h.in: $(am__configure_deps)
($(am__cd) $(top_srcdir) && $(AUTOHEADER))
rm -f stamp-h1
touch $@
distclean-hdr:
-rm -f config.h stamp-h1
xc_version.h: $(top_builddir)/config.status $(srcdir)/xc_version.h.in
cd $(top_builddir) && $(SHELL) ./config.status $@
mostlyclean-libtool:
-rm -f *.lo
clean-libtool:
-rm -rf .libs _libs
distclean-libtool:
-rm -f libtool config.lt
install-includeHEADERS: $(include_HEADERS)
@$(NORMAL_INSTALL)
@list='$(include_HEADERS)'; test -n "$(includedir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(includedir)'"; \
$(MKDIR_P) "$(DESTDIR)$(includedir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_HEADER) $$files '$(DESTDIR)$(includedir)'"; \
$(INSTALL_HEADER) $$files "$(DESTDIR)$(includedir)" || exit $$?; \
done
uninstall-includeHEADERS:
@$(NORMAL_UNINSTALL)
@list='$(include_HEADERS)'; test -n "$(includedir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(includedir)'; $(am__uninstall_files_from_dir)
# This directory's subdirectories are mostly independent; you can cd
# into them and run 'make' without going through this Makefile.
# To change the values of 'make' variables: instead of editing Makefiles,
# (1) if the variable is set in 'config.status', edit 'config.status'
# (which will cause the Makefiles to be regenerated when you run 'make');
# (2) otherwise, pass the desired values on the 'make' command line.
$(am__recursive_targets):
@fail=; \
if $(am__make_keepgoing); then \
failcom='fail=yes'; \
else \
failcom='exit 1'; \
fi; \
dot_seen=no; \
target=`echo $@ | sed s/-recursive//`; \
case "$@" in \
distclean-* | maintainer-clean-*) list='$(DIST_SUBDIRS)' ;; \
*) list='$(SUBDIRS)' ;; \
esac; \
for subdir in $$list; do \
echo "Making $$target in $$subdir"; \
if test "$$subdir" = "."; then \
dot_seen=yes; \
local_target="$$target-am"; \
else \
local_target="$$target"; \
fi; \
($(am__cd) $$subdir && $(MAKE) $(AM_MAKEFLAGS) $$local_target) \
|| eval $$failcom; \
done; \
if test "$$dot_seen" = "no"; then \
$(MAKE) $(AM_MAKEFLAGS) "$$target-am" || exit 1; \
fi; test -z "$$fail"
ID: $(am__tagged_files)
$(am__define_uniq_tagged_files); mkid -fID $$unique
tags: tags-recursive
TAGS: tags
tags-am: $(TAGS_DEPENDENCIES) $(am__tagged_files)
set x; \
here=`pwd`; \
if ($(ETAGS) --etags-include --version) >/dev/null 2>&1; then \
include_option=--etags-include; \
empty_fix=.; \
else \
include_option=--include; \
empty_fix=; \
fi; \
list='$(SUBDIRS)'; for subdir in $$list; do \
if test "$$subdir" = .; then :; else \
test ! -f $$subdir/TAGS || \
set "$$@" "$$include_option=$$here/$$subdir/TAGS"; \
fi; \
done; \
$(am__define_uniq_tagged_files); \
shift; \
if test -z "$(ETAGS_ARGS)$$*$$unique"; then :; else \
test -n "$$unique" || unique=$$empty_fix; \
if test $$# -gt 0; then \
$(ETAGS) $(ETAGSFLAGS) $(AM_ETAGSFLAGS) $(ETAGS_ARGS) \
"$$@" $$unique; \
else \
$(ETAGS) $(ETAGSFLAGS) $(AM_ETAGSFLAGS) $(ETAGS_ARGS) \
$$unique; \
fi; \
fi
ctags: ctags-recursive
CTAGS: ctags
ctags-am: $(TAGS_DEPENDENCIES) $(am__tagged_files)
$(am__define_uniq_tagged_files); \
test -z "$(CTAGS_ARGS)$$unique" \
|| $(CTAGS) $(CTAGSFLAGS) $(AM_CTAGSFLAGS) $(CTAGS_ARGS) \
$$unique
GTAGS:
here=`$(am__cd) $(top_builddir) && pwd` \
&& $(am__cd) $(top_srcdir) \
&& gtags -i $(GTAGS_ARGS) "$$here"
cscope: cscope.files
test ! -s cscope.files \
|| $(CSCOPE) -b -q $(AM_CSCOPEFLAGS) $(CSCOPEFLAGS) -i cscope.files $(CSCOPE_ARGS)
clean-cscope:
-rm -f cscope.files
cscope.files: clean-cscope cscopelist
cscopelist: cscopelist-recursive
cscopelist-am: $(am__tagged_files)
list='$(am__tagged_files)'; \
case "$(srcdir)" in \
[\\/]* | ?:[\\/]*) sdir="$(srcdir)" ;; \
*) sdir=$(subdir)/$(srcdir) ;; \
esac; \
for i in $$list; do \
if test -f "$$i"; then \
echo "$(subdir)/$$i"; \
else \
echo "$$sdir/$$i"; \
fi; \
done >> $(top_builddir)/cscope.files
distclean-tags:
-rm -f TAGS ID GTAGS GRTAGS GSYMS GPATH tags
-rm -f cscope.out cscope.in.out cscope.po.out cscope.files
distdir: $(DISTFILES)
$(am__remove_distdir)
test -d "$(distdir)" || mkdir "$(distdir)"
@srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \
topsrcdirstrip=`echo "$(top_srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \
list='$(DISTFILES)'; \
dist_files=`for file in $$list; do echo $$file; done | \
sed -e "s|^$$srcdirstrip/||;t" \
-e "s|^$$topsrcdirstrip/|$(top_builddir)/|;t"`; \
case $$dist_files in \
*/*) $(MKDIR_P) `echo "$$dist_files" | \
sed '/\//!d;s|^|$(distdir)/|;s,/[^/]*$$,,' | \
sort -u` ;; \
esac; \
for file in $$dist_files; do \
if test -f $$file || test -d $$file; then d=.; else d=$(srcdir); fi; \
if test -d $$d/$$file; then \
dir=`echo "/$$file" | sed -e 's,/[^/]*$$,,'`; \
if test -d "$(distdir)/$$file"; then \
find "$(distdir)/$$file" -type d ! -perm -700 -exec chmod u+rwx {} \;; \
fi; \
if test -d $(srcdir)/$$file && test $$d != $(srcdir); then \
cp -fpR $(srcdir)/$$file "$(distdir)$$dir" || exit 1; \
find "$(distdir)/$$file" -type d ! -perm -700 -exec chmod u+rwx {} \;; \
fi; \
cp -fpR $$d/$$file "$(distdir)$$dir" || exit 1; \
else \
test -f "$(distdir)/$$file" \
|| cp -p $$d/$$file "$(distdir)/$$file" \
|| exit 1; \
fi; \
done
@list='$(DIST_SUBDIRS)'; for subdir in $$list; do \
if test "$$subdir" = .; then :; else \
$(am__make_dryrun) \
|| test -d "$(distdir)/$$subdir" \
|| $(MKDIR_P) "$(distdir)/$$subdir" \
|| exit 1; \
dir1=$$subdir; dir2="$(distdir)/$$subdir"; \
$(am__relativize); \
new_distdir=$$reldir; \
dir1=$$subdir; dir2="$(top_distdir)"; \
$(am__relativize); \
new_top_distdir=$$reldir; \
echo " (cd $$subdir && $(MAKE) $(AM_MAKEFLAGS) top_distdir="$$new_top_distdir" distdir="$$new_distdir" \\"; \
echo " am__remove_distdir=: am__skip_length_check=: am__skip_mode_fix=: distdir)"; \
($(am__cd) $$subdir && \
$(MAKE) $(AM_MAKEFLAGS) \
top_distdir="$$new_top_distdir" \
distdir="$$new_distdir" \
am__remove_distdir=: \
am__skip_length_check=: \
am__skip_mode_fix=: \
distdir) \
|| exit 1; \
fi; \
done
-test -n "$(am__skip_mode_fix)" \
|| find "$(distdir)" -type d ! -perm -755 \
-exec chmod u+rwx,go+rx {} \; -o \
! -type d ! -perm -444 -links 1 -exec chmod a+r {} \; -o \
! -type d ! -perm -400 -exec chmod a+r {} \; -o \
! -type d ! -perm -444 -exec $(install_sh) -c -m a+r {} {} \; \
|| chmod -R a+r "$(distdir)"
dist-gzip: distdir
tardir=$(distdir) && $(am__tar) | GZIP=$(GZIP_ENV) gzip -c >$(distdir).tar.gz
$(am__post_remove_distdir)
dist-bzip2: distdir
tardir=$(distdir) && $(am__tar) | BZIP2=$${BZIP2--9} bzip2 -c >$(distdir).tar.bz2
$(am__post_remove_distdir)
dist-lzip: distdir
tardir=$(distdir) && $(am__tar) | lzip -c $${LZIP_OPT--9} >$(distdir).tar.lz
$(am__post_remove_distdir)
dist-xz: distdir
tardir=$(distdir) && $(am__tar) | XZ_OPT=$${XZ_OPT--e} xz -c >$(distdir).tar.xz
$(am__post_remove_distdir)
dist-tarZ: distdir
tardir=$(distdir) && $(am__tar) | compress -c >$(distdir).tar.Z
$(am__post_remove_distdir)
dist-shar: distdir
shar $(distdir) | GZIP=$(GZIP_ENV) gzip -c >$(distdir).shar.gz
$(am__post_remove_distdir)
dist-zip: distdir
-rm -f $(distdir).zip
zip -rq $(distdir).zip $(distdir)
$(am__post_remove_distdir)
dist dist-all:
$(MAKE) $(AM_MAKEFLAGS) $(DIST_TARGETS) am__post_remove_distdir='@:'
$(am__post_remove_distdir)
# This target untars the dist file and tries a VPATH configuration. Then
# it guarantees that the distribution is self-contained by making another
# tarfile.
distcheck: dist
case '$(DIST_ARCHIVES)' in \
*.tar.gz*) \
GZIP=$(GZIP_ENV) gzip -dc $(distdir).tar.gz | $(am__untar) ;;\
*.tar.bz2*) \
bzip2 -dc $(distdir).tar.bz2 | $(am__untar) ;;\
*.tar.lz*) \
lzip -dc $(distdir).tar.lz | $(am__untar) ;;\
*.tar.xz*) \
xz -dc $(distdir).tar.xz | $(am__untar) ;;\
*.tar.Z*) \
uncompress -c $(distdir).tar.Z | $(am__untar) ;;\
*.shar.gz*) \
GZIP=$(GZIP_ENV) gzip -dc $(distdir).shar.gz | unshar ;;\
*.zip*) \
unzip $(distdir).zip ;;\
esac
chmod -R a-w $(distdir)
chmod u+w $(distdir)
mkdir $(distdir)/_build $(distdir)/_inst
chmod a-w $(distdir)
test -d $(distdir)/_build || exit 0; \
dc_install_base=`$(am__cd) $(distdir)/_inst && pwd | sed -e 's,^[^:\\/]:[\\/],/,'` \
&& dc_destdir="$${TMPDIR-/tmp}/am-dc-$$$$/" \
&& am__cwd=`pwd` \
&& $(am__cd) $(distdir)/_build \
&& ../configure --srcdir=.. --prefix="$$dc_install_base" \
$(AM_DISTCHECK_CONFIGURE_FLAGS) \
$(DISTCHECK_CONFIGURE_FLAGS) \
&& $(MAKE) $(AM_MAKEFLAGS) \
&& $(MAKE) $(AM_MAKEFLAGS) dvi \
&& $(MAKE) $(AM_MAKEFLAGS) check \
&& $(MAKE) $(AM_MAKEFLAGS) install \
&& $(MAKE) $(AM_MAKEFLAGS) installcheck \
&& $(MAKE) $(AM_MAKEFLAGS) uninstall \
&& $(MAKE) $(AM_MAKEFLAGS) distuninstallcheck_dir="$$dc_install_base" \
distuninstallcheck \
&& chmod -R a-w "$$dc_install_base" \
&& ({ \
(cd ../.. && umask 077 && mkdir "$$dc_destdir") \
&& $(MAKE) $(AM_MAKEFLAGS) DESTDIR="$$dc_destdir" install \
&& $(MAKE) $(AM_MAKEFLAGS) DESTDIR="$$dc_destdir" uninstall \
&& $(MAKE) $(AM_MAKEFLAGS) DESTDIR="$$dc_destdir" \
distuninstallcheck_dir="$$dc_destdir" distuninstallcheck; \
} || { rm -rf "$$dc_destdir"; exit 1; }) \
&& rm -rf "$$dc_destdir" \
&& $(MAKE) $(AM_MAKEFLAGS) dist \
&& rm -rf $(DIST_ARCHIVES) \
&& $(MAKE) $(AM_MAKEFLAGS) distcleancheck \
&& cd "$$am__cwd" \
|| exit 1
$(am__post_remove_distdir)
@(echo "$(distdir) archives ready for distribution: "; \
list='$(DIST_ARCHIVES)'; for i in $$list; do echo $$i; done) | \
sed -e 1h -e 1s/./=/g -e 1p -e 1x -e '$$p' -e '$$x'
distuninstallcheck:
@test -n '$(distuninstallcheck_dir)' || { \
echo 'ERROR: trying to run $@ with an empty' \
'$$(distuninstallcheck_dir)' >&2; \
exit 1; \
}; \
$(am__cd) '$(distuninstallcheck_dir)' || { \
echo 'ERROR: cannot chdir into $(distuninstallcheck_dir)' >&2; \
exit 1; \
}; \
test `$(am__distuninstallcheck_listfiles) | wc -l` -eq 0 \
|| { echo "ERROR: files left after uninstall:" ; \
if test -n "$(DESTDIR)"; then \
echo " (check DESTDIR support)"; \
fi ; \
$(distuninstallcheck_listfiles) ; \
exit 1; } >&2
distcleancheck: distclean
@if test '$(srcdir)' = . ; then \
echo "ERROR: distcleancheck can only run from a VPATH build" ; \
exit 1 ; \
fi
@test `$(distcleancheck_listfiles) | wc -l` -eq 0 \
|| { echo "ERROR: files left in build directory after distclean:" ; \
$(distcleancheck_listfiles) ; \
exit 1; } >&2
check-am: all-am
check: check-recursive
all-am: Makefile $(HEADERS) config.h
installdirs: installdirs-recursive
installdirs-am:
for dir in "$(DESTDIR)$(includedir)"; do \
test -z "$$dir" || $(MKDIR_P) "$$dir"; \
done
install: install-recursive
install-exec: install-exec-recursive
install-data: install-data-recursive
uninstall: uninstall-recursive
install-am: all-am
@$(MAKE) $(AM_MAKEFLAGS) install-exec-am install-data-am
installcheck: installcheck-recursive
install-strip:
if test -z '$(STRIP)'; then \
$(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \
install; \
else \
$(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \
"INSTALL_PROGRAM_ENV=STRIPPROG='$(STRIP)'" install; \
fi
mostlyclean-generic:
clean-generic:
-test -z "$(CLEANFILES)" || rm -f $(CLEANFILES)
distclean-generic:
-test -z "$(CONFIG_CLEAN_FILES)" || rm -f $(CONFIG_CLEAN_FILES)
-test . = "$(srcdir)" || test -z "$(CONFIG_CLEAN_VPATH_FILES)" || rm -f $(CONFIG_CLEAN_VPATH_FILES)
maintainer-clean-generic:
@echo "This command is intended for maintainers to use"
@echo "it deletes files that may require special tools to rebuild."
clean: clean-recursive
clean-am: clean-generic clean-libtool mostlyclean-am
distclean: distclean-recursive
-rm -f $(am__CONFIG_DISTCLEAN_FILES)
-rm -f Makefile
distclean-am: clean-am distclean-generic distclean-hdr \
distclean-libtool distclean-tags
dvi: dvi-recursive
dvi-am:
html: html-recursive
html-am:
info: info-recursive
info-am:
install-data-am: install-includeHEADERS
install-dvi: install-dvi-recursive
install-dvi-am:
install-exec-am:
install-html: install-html-recursive
install-html-am:
install-info: install-info-recursive
install-info-am:
install-man:
install-pdf: install-pdf-recursive
install-pdf-am:
install-ps: install-ps-recursive
install-ps-am:
installcheck-am:
maintainer-clean: maintainer-clean-recursive
-rm -f $(am__CONFIG_DISTCLEAN_FILES)
-rm -rf $(top_srcdir)/autom4te.cache
-rm -f Makefile
maintainer-clean-am: distclean-am maintainer-clean-generic
mostlyclean: mostlyclean-recursive
mostlyclean-am: mostlyclean-generic mostlyclean-libtool
pdf: pdf-recursive
pdf-am:
ps: ps-recursive
ps-am:
uninstall-am: uninstall-includeHEADERS
.MAKE: $(am__recursive_targets) all install-am install-strip
.PHONY: $(am__recursive_targets) CTAGS GTAGS TAGS all all-am \
am--refresh check check-am clean clean-cscope clean-generic \
clean-libtool cscope cscopelist-am ctags ctags-am dist \
dist-all dist-bzip2 dist-gzip dist-lzip dist-shar dist-tarZ \
dist-xz dist-zip distcheck distclean distclean-generic \
distclean-hdr distclean-libtool distclean-tags distcleancheck \
distdir distuninstallcheck dvi dvi-am html html-am info \
info-am install install-am install-data install-data-am \
install-dvi install-dvi-am install-exec install-exec-am \
install-html install-html-am install-includeHEADERS \
install-info install-info-am install-man install-pdf \
install-pdf-am install-ps install-ps-am install-strip \
installcheck installcheck-am installdirs installdirs-am \
maintainer-clean maintainer-clean-generic mostlyclean \
mostlyclean-generic mostlyclean-libtool pdf pdf-am ps ps-am \
tags tags-am uninstall uninstall-am uninstall-includeHEADERS
rpm: dist
@topdir=`rpmbuild --showrc | @GREP@ ': *_topdir' | cut -f 2`; \
mv -f $(PACKAGE)-$(VERSION).tar.gz $$topdir/SOURCES; \
cp build/$(PACKAGE).spec $$topdir/SPECS; \
rpmbuild -ba $$topdir/SPECS/$(PACKAGE).spec; \
echo "-------------------------------------------------------------"; \
echo " RPMs are built, and are located under:"; \
echo " $$topdir/RPMS/"; \
echo " $$topdir/SRPMS"; \
echo "-------------------------------------------------------------"
# scp $(RPM_DIR)/RPMS/*/libxc*.rpm marques@www.tddft.org:/server/www/tddft.org/programs/octopus/download/
# Tell versions [3.59,3.63) of GNU make to not export all variables.
# Otherwise a system limit (for SysV at least) may be exceeded.
.NOEXPORT:
libxc-2.1.2/src/ 0000775 0001750 0001750 00000000000 12471364016 010413 5 0000000 0000000 libxc-2.1.2/src/mgga_x_mn12.c 0000664 0001750 0001750 00000015623 12471363260 012605 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_MN12_L 227 /* MN12-L functional from Minnesota */
#define XC_MGGA_X_MN12_SX 228 /* MN12-SX functional from Minnesota */
/* the ordering is
CC000 [ 0], CC001 [ 1], CC002 [ 2], CC003 [ 3], CC004 [ 4], CC005 [ 5]
CC010 [ 6], CC011 [ 7], CC012 [ 8], CC013 [ 9], CC014 [10],
CC020 [11], CC021 [12], CC022 [13], CC023 [14],
CC030 [15], CC031 [16], CC032 [17],
CC100 [18], CC101 [19], CC102 [20], CC103 [21], CC104 [22]
CC110 [23], CC111 [24], CC112 [25], CC113 [26],
CC120 [27], CC121 [28], CC122 [29],
CC200 [30], CC201 [31], CC202 [32], CC203 [33],
CC210 [34], CC211 [35], CC212 [36],
CC300 [37], CC301 [38], CC302 [39]
*/
static const FLOAT CC_MN12_L[] =
{ 6.735981e-01, -2.270598e+00, -2.613712e+00, 3.993609e+00, 4.635575e+00, 1.250676e+00,
8.444920e-01, -1.301173e+01, -1.777730e+01, -4.627211e+00, 5.976605e+00,
1.142897e+00, -2.040226e+01, -2.382843e+01, 7.119109e+00,
-2.335726e+01, -1.622633e+01, 1.482732e+01,
1.449285e+00, 1.020598e+01, 4.407450e+00, -2.008193e+01, -1.253561e+01,
-5.435031e+00, 1.656736e+01, 2.000229e+01, -2.513105e+00,
9.658436e+00, -3.825281e+00, -2.500000e+01,
-2.070080e+00, -9.951913e+00, 8.731211e-01, 2.210891e+01,
8.822633e+00, 2.499949e+01, 2.500000e+01,
6.851693e-01, -7.406948e-02, -6.788000e-01
};
static const FLOAT CC_MN12_SX[] =
{ 5.226556e-01, -2.681208e-01, -4.670705e+00, 3.067320e+00, 4.095370e+00, 2.653023e+00,
5.165969e-01, -2.035442e+01, -9.946472e+00, 2.938637e+00, 1.131100e+01,
4.752452e+00, -3.061331e+00, -2.523173e+01, 1.710903e+01,
-2.357480e+01, -2.727754e+01, 1.603291e+01,
1.842503e+00, 1.927120e+00, 1.107987e+01, -1.182087e+01, -1.117768e+01,
-5.821000e+00, 2.266545e+01, 8.246708e+00, -4.778364e+00,
5.329122e-01, -6.666755e+00, 1.671429e+00,
-3.311409e+00, 3.415913e-01, -6.413076e+00, 1.038584e+01,
9.026277e+00, 1.929689e+01, 2.669232e+01,
1.517278e+00, -3.442503e+00, 1.100161e+00
};
static void
func(const XC(func_type) *pt, XC(mgga_work_c_t) *r)
{
int is;
const FLOAT *CC, sign[2] = {1.0, -1.0}, omega_x=2.5, gamma_x=0.004;
FLOAT cnst_rs, opz, opz13, rss, x2;
FLOAT vx, vx2, vx3, ux_d, ux, ux2, ux3, wx_d, wx, wx2, wx3, wx4, wx5;
FLOAT pol1, pol2, pol3, pol4, pol5, pol6, pol7, pol8, pol9, pol10;
FLOAT ex, FMN12;
FLOAT drssdrs, drssdz, dvxdrss, duxdxs, dwxdts;
FLOAT dpol1, dpol2, dpol3, dpol4, dpol5, dpol6, dpol7, dpol8, dpol9, dpol10;
FLOAT dexdz, dexdrss, dFMN12dwx, dFMN12dux, dFMN12dvx;
CC = (pt->info->number == XC_MGGA_X_MN12_L) ? CC_MN12_L : CC_MN12_SX;
cnst_rs = CBRT(4.0*M_PI/3.0);
r->f = 0.0;
if(r->order >= 1)
r->dfdrs = r->dfdz = r->dfdxt = r->dfdxs[0] = r->dfdxs[1] = r->dfdts[0] = r->dfdts[1] = 0.0;
/* now the spin-resolved part */
for(is = 0; is < 2; is++){
opz = 1.0 + sign[is]*r->zeta;
if(opz < pt->info->min_zeta) continue;
opz13 = CBRT(opz);
rss = r->rs*M_CBRT2/opz13;
x2 = r->xs[is]*r->xs[is];
vx = 1.0/(1.0 + (cnst_rs/omega_x)*rss);
ux_d = 1.0/(1.0 + gamma_x*x2);
ux = gamma_x*x2*ux_d;
wx_d = 1.0/(K_FACTOR_C + r->ts[is]);
wx = (K_FACTOR_C - r->ts[is])*wx_d;
vx2 = vx*vx; vx3 = vx2*vx;
ux2 = ux*ux; ux3 = ux2*ux;
wx2 = wx*wx; wx3 = wx2*wx; wx4 = wx3*wx; wx5 = wx4*wx;
pol1 = CC[ 0] + CC[ 1]*wx + CC[ 2]*wx2 + CC[ 3]*wx3 + CC[ 4]*wx4 + CC[ 5]*wx5;
pol2 = CC[ 6] + CC[ 7]*wx + CC[ 8]*wx2 + CC[ 9]*wx3 + CC[10]*wx4;
pol3 = CC[11] + CC[12]*wx + CC[13]*wx2 + CC[14]*wx3;
pol4 = CC[15] + CC[16]*wx + CC[17]*wx2;
pol5 = CC[18] + CC[19]*wx + CC[20]*wx2 + CC[21]*wx3 + CC[22]*wx4;
pol6 = CC[23] + CC[24]*wx + CC[25]*wx2 + CC[26]*wx3;
pol7 = CC[27] + CC[28]*wx + CC[29]*wx2;
pol8 = CC[30] + CC[31]*wx + CC[32]*wx2 + CC[33]*wx3;
pol9 = CC[34] + CC[35]*wx + CC[36]*wx2;
pol10 = CC[37] + CC[38]*wx + CC[39]*wx2;
FMN12 = pol1 + ux*pol2 + ux2*pol3 + ux3*pol4 +
vx*pol5 + ux*vx*pol6 + ux2*vx*pol7 + vx2*pol8 + ux*vx2*pol9 + vx3*pol10;
ex = -X_FACTOR_C*opz/(2.0*cnst_rs*rss);
r->f += ex*FMN12;
if(r->order < 1) continue;
drssdrs = M_CBRT2/opz13;
drssdz = -sign[is]*rss/(3.0*opz);
dvxdrss = -(cnst_rs/omega_x)*vx*vx;
duxdxs = 2.0*gamma_x*r->xs[is]*ux_d*ux_d;
dwxdts = -2.0*K_FACTOR_C*wx_d*wx_d;
dpol1 = CC[ 1] + 2.0*CC[ 2]*wx + 3.0*CC[ 3]*wx2 + 4.0*CC[ 4]*wx3 + 5.0*CC[ 5]*wx4;
dpol2 = CC[ 7] + 2.0*CC[ 8]*wx + 3.0*CC[ 9]*wx2 + 4.0*CC[10]*wx3;
dpol3 = CC[12] + 2.0*CC[13]*wx + 3.0*CC[14]*wx2;
dpol4 = CC[16] + 2.0*CC[17]*wx;
dpol5 = CC[19] + 2.0*CC[20]*wx + 3.0*CC[21]*wx2 + 4.0*CC[22]*wx3;
dpol6 = CC[24] + 2.0*CC[25]*wx + 3.0*CC[26]*wx2;
dpol7 = CC[28] + 2.0*CC[29]*wx;
dpol8 = CC[31] + 2.0*CC[32]*wx + 3.0*CC[33]*wx2;
dpol9 = CC[35] + 2.0*CC[36]*wx;
dpol10 = CC[38] + 2.0*CC[39]*wx;
dFMN12dwx = dpol1 + ux*dpol2 + ux2*dpol3 + ux3*dpol4 +
vx*dpol5 + ux*vx*dpol6 + ux2*vx*dpol7 + vx2*dpol8 + ux*vx2*dpol9 + vx3*dpol10;
dFMN12dux = pol2 + 2.0*ux*pol3 + 3.0*ux2*pol4 + vx*pol6 + 2.0*ux*vx*pol7 + vx2*pol9;
dFMN12dvx = pol5 + ux*pol6 + ux2*pol7 + 2.0*vx*pol8 + 2.0*ux*vx*pol9 + 3.0*vx2*pol10;
dexdrss = -ex/rss;
dexdz = sign[is]*ex/opz;
r->dfdrs += (dexdrss*FMN12 + ex*dFMN12dvx*dvxdrss)*drssdrs;
r->dfdz += dexdz*FMN12 + (dexdrss*FMN12 + ex*dFMN12dvx*dvxdrss)*drssdz;
r->dfdxs[is] = ex*dFMN12dux*duxdxs;
r->dfdts[is] = ex*dFMN12dwx*dwxdts;
}
}
#include "work_mgga_c.c"
XC(func_info_type) XC(func_info_mgga_x_mn12_l) = {
XC_MGGA_X_MN12_L,
XC_EXCHANGE,
"MN12-L functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati and DG Truhlar, Phys. Chem. Chem. Phys. 14, 13171-13174 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
NULL,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_x_mn12_sx) = {
XC_MGGA_X_MN12_SX,
XC_EXCHANGE,
"MN12-SX functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati and DG Truhlar, Phys. Chem. Chem. Phys. 14, accepted (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
NULL,
NULL, NULL, NULL,
work_mgga_c,
};
libxc-2.1.2/src/gga_xc_oblyp_d.c 0000664 0001750 0001750 00000006336 12471363260 013447 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_XC_OBLYP_D 67 /* oBLYP-D functional of Goerigk and Grimme */
#define XC_GGA_XC_OPWLYP_D 66 /* oPWLYP-D functional of Goerigk and Grimme */
#define XC_GGA_XC_OPBE_D 65 /* oPBE_D functional of Goerigk and Grimme */
static void
gga_xc_oblyp_d_init(XC(func_type) *p)
{
static int funcs_id [4] = {XC_GGA_X_B88, XC_GGA_C_LYP};
static FLOAT funcs_coef[4] = {1.0, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(gga_x_b88_set_params)(p->func_aux[0], 0.00401, 6.0);
XC(gga_c_lyp_set_params)(p->func_aux[1], 0.05047, 0.140, 0.2196, 0.363);
}
const XC(func_info_type) XC(func_info_gga_xc_oblyp_d) = {
XC_GGA_XC_OBLYP_D,
XC_EXCHANGE_CORRELATION,
"oBLYP-D functional of Goerigk and Grimme",
XC_FAMILY_GGA,
"L Goerigk and S Grimme, J. Chem. Theory Comput. 6, 107-126 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_oblyp_d_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_opwlyp_d_init(XC(func_type) *p)
{
static int funcs_id [4] = {XC_GGA_X_PW91, XC_GGA_C_LYP};
static FLOAT funcs_coef[4] = {1.0, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(gga_x_pw91_set_params2)(p->func_aux[0], 0.00402, 0.8894/(X2S*X2S), 0.79);
XC(gga_c_lyp_set_params)(p->func_aux[1], 0.04960, 0.144, 0.2262, 0.346);
}
const XC(func_info_type) XC(func_info_gga_xc_opwlyp_d) = {
XC_GGA_XC_OPWLYP_D,
XC_EXCHANGE_CORRELATION,
"oPWLYP-D functional of Goerigk and Grimme",
XC_FAMILY_GGA,
"L Goerigk and S Grimme, J. Chem. Theory Comput. 6, 107-126 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_opwlyp_d_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_opbe_d_init(XC(func_type) *p)
{
static int funcs_id [4] = {XC_GGA_X_PBE, XC_GGA_C_PBE};
static FLOAT funcs_coef[4] = {1.0, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(gga_x_pbe_set_params)(p->func_aux[0], 1.2010, 0.21198);
XC(gga_c_pbe_set_params)(p->func_aux[1], 0.04636);
}
const XC(func_info_type) XC(func_info_gga_xc_opbe_d) = {
XC_GGA_XC_OPBE_D,
XC_EXCHANGE_CORRELATION,
"oBLYP-D functional of Goerigk and Grimme",
XC_FAMILY_GGA,
"L Goerigk and S Grimme, J. Chem. Theory Comput. 6, 107-126 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_opbe_d_init,
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/mgga_xc_otpss_d.c 0000664 0001750 0001750 00000003226 12471363260 013642 0000000 0000000 /*
Copyright (C) 2006-2013 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_XC_OTPSS_D 64 /* oTPSS_D functional of Goerigk and Grimme */
static void
mgga_xc_otpss_d_init(XC(func_type) *p)
{
static int funcs_id [2] = {XC_MGGA_X_TPSS, XC_MGGA_C_TPSS};
static FLOAT funcs_coef[2] = {1.0, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(mgga_x_tpss_set_params)(p->func_aux[0], 3.43, 0.75896, 0.165, 0.778, 0.41567);
XC(mgga_c_pkzb_set_params)(p->func_aux[1], 0.08861, 0.7, 0.59, 0.9269, 0.6225, 2.1540);
}
const XC(func_info_type) XC(func_info_mgga_xc_otpss_d) = {
XC_MGGA_XC_OTPSS_D,
XC_EXCHANGE_CORRELATION,
"oTPSS-D functional of Goerigk and Grimme",
XC_FAMILY_MGGA,
"L Goerigk and S Grimme, J. Chem. Theory Comput. 6, 107-126 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
mgga_xc_otpss_d_init,
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/gga_x_htbs.c 0000664 0001750 0001750 00000007127 12471363260 012613 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_HTBS 191 /* Haas, Tran, Blaha, and Schwarz */
/* The equations to solve in order to obtain the coeficients cc are
G(s1) = 0
G(s2) = 1
G'(s1) = 0
G'(s2) = 0
G''(s1) = 0
G''(s2) = 0
*/
static FLOAT s1 = 0.6, s2 = 2.6;
static FLOAT cc[6];
static void
gga_x_htbs_init(XC(func_type) *p)
{
FLOAT s12, s22, s1_s2, aux;
p->n_func_aux = 2;
p->func_aux = (XC(func_type) **) malloc(2*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
p->func_aux[1] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_GGA_X_RPBE, p->nspin);
XC(func_init)(p->func_aux[1], XC_GGA_X_WC, p->nspin);
s12 = s1*s1;
s22 = s2*s2;
s1_s2 = s1 - s2;
aux = s1_s2*s1_s2;
aux = 1.0/(aux*aux*s1_s2);
cc[0] = aux*s12*s1*(s12 - 5.0*s1*s2 + 10*s22);
cc[1] = -aux*30.0*s12*s22;
cc[2] = aux*30*s1*s2*(s1 + s2);
cc[3] = -aux*10*(s12 + 4.0*s1*s2 + s22);
cc[4] = aux*15.0*(s1 + s2);
cc[5] = -aux*6.0;
}
void XC(gga_x_htbs_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT s, g, dg, d2g, d3g, a, da, d2a, d3a, b, db, d2b, d3b;
s = X2S*x;
if(s > s1)
XC(gga_x_rpbe_enhance)(p->func_aux[0], order, x, &a, &da, &d2a, &d3a);
if(s < s2)
XC(gga_x_wc_enhance) (p->func_aux[1], order, x, &b, &db, &d2b, &d3b);
if(s < s1)
*f = b;
else if(s > s2)
*f = a;
else{
g = cc[0] + s*(cc[1] + s*(cc[2] + s*(cc[3] + s*(cc[4] + s*cc[5]))));
*f = g*a + (1.0 - g)*b;
}
if(order < 1) return;
if(s < s1)
*dfdx = db;
else if(s > s2)
*dfdx = da;
else{
dg = cc[1] + s*(2.0*cc[2] + s*(3.0*cc[3] + s*(4.0*cc[4] + s*5.0*cc[5])));
dg *= X2S;
*dfdx = dg*(a - b) + g*(da - db) + db;
}
if(order < 2) return;
if(s < s1)
*d2fdx2 = d2b;
else if(s > s2)
*d2fdx2 = d2a;
else{
d2g = 2.0*cc[2] + s*(6.0*cc[3] + s*(12.0*cc[4] + s*20.0*cc[5]));
d2g *= X2S*X2S;
*d2fdx2 = d2g*(a - b) + 2.0*dg*(da - db) + g*(d2a - d2b) + d2b;
}
if(order < 3) return;
if(s < s1)
*d3fdx3 = d3b;
else if(s > s2)
*d3fdx3 = d3a;
else{
d3g = 6.0*cc[3] + s*(24.0*cc[4] + s*60.0*cc[5]);
d3g *= X2S*X2S*X2S;
*d3fdx3 = d3g*(a - b) + 3.0*d2g*(da - db) + 3.0*dg*(d2a - d2b) + g*(d3a - d3b) + d3b;
}
}
#define func XC(gga_x_htbs_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_htbs) = {
XC_GGA_X_HTBS,
XC_EXCHANGE,
"Haas, Tran, Blaha, and Schwarz",
XC_FAMILY_GGA,
"P Haas, F Tran, P Blaha, and K Schwarz, Phys. Rev. B 83, 205117 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_htbs_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_x_wpbeh.c 0000664 0001750 0001750 00000042227 12471363260 012760 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_WPBEH 524 /* short-range version of the PBE */
typedef struct{
FLOAT omega;
} gga_x_wpbeh_params;
static void
gga_x_wpbeh_init(XC(func_type) *p)
{
assert(p->params == NULL);
p->params = malloc(sizeof(gga_x_wpbeh_params));
/* The default value is actually PBEh */
XC(gga_x_wpbeh_set_params)(p, 0.0);
}
void
XC(gga_x_wpbeh_set_params)(XC(func_type) *p, FLOAT omega)
{
gga_x_wpbeh_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_wpbeh_params *) (p->params);
params->omega = omega;
}
#define HEADER 3
/* This implementation follows the one from espresso, that, in turn,
follows the one of the thesis of Jochen Heyd. Analytic derivatives
are only implemented in espresso though. These implementations can
be found in:
vasp: xclib_grad.F, MODULE wpbe, and in particular SUBROUTINE EXCHWPBE_R
espresso: flib/functionals.f90, SUBROUTINE wpbe_analy_erfc_approx_grad
very important details can be found in references:
*) J Heyd, GE Scuseria, and M Ernzerhof, J. Chem. Phys. 118, 8207 (2003)
Erratum: J. Chem. Phys. 124, 219906 (2006).
*) M Ernzerhof and JP Perdew, J. Chem. Phys. 109, 3313 (1998)
*) J Heyd and GE Scuseria, J. Chem. Phys. 120, 7274 (2004)
Also the whole mess with the rescaling of s is explained in
*) TM Henderson, AF Izmaylov, G Scalmani, and GE Scuseria, J. Chem. Phys. 131, 044108 (2009)
*/
static inline void
s_scaling(int version, int order, FLOAT s1, FLOAT *s2, FLOAT *ds2ds1)
{
/* parameters for the re-scaling of s */
static const FLOAT strans=8.3, smax=8.572844, sconst=18.79622316;
static const FLOAT s0=8.572844, p4=0.615482, p5=1.136921, p6=-0.449154,
q4=1.229195, q5=-0.0269253, q6=0.313417, q7=-0.0508314, q8=0.0175739;
FLOAT expms1, expmsmax, s12, s14, num, den, dnum, dden;
switch(version){
case 0: /* no scaling */
*s2 = s1;
break;
case 1: /* original scaling of Heyd */
*s2 = (s1 < strans) ? s1 : smax - sconst/(s1*s1);
break;
case 2: /* first version of the scaling by TM Henderson, apparently used by Gaussian */
if(s1 < 1.0)
*s2 = s1;
else if(s1 > 15.0)
*s2 = smax;
else{
expms1 = EXP(-s1);
expmsmax = EXP(-smax);
*s2 = s1 - LOG(1.0 + expmsmax/expms1);
}
break;
case 3: /* second version of the scaling by TM Henderson */
expms1 = EXP(-s1);
expmsmax = EXP(-smax);
*s2 = s1 - (1.0 - expms1)*LOG(1.0 + expmsmax/expms1);
break;
case 4: /* appendix of JCP 128, 194105 (2008) */
s12 = s1*s1;
s14 = s12*s12;
num = s1*(1.0 + s14*(p4 + s1*(p5 + s1*(p6 + s1*q8*s0))));
den = 1.0 + s14*(q4 + s1*(q5 + s1*(q6 + s1*(q7 + s1*q8))));
*s2 = num/den;
break;
default:
fprintf(stderr, "Internal error in gga_x_hse\n");
exit(1);
}
if(order < 1) return;
switch(version){
case 0:
*ds2ds1 = 1.0;
break;
case 1:
*ds2ds1 = (s1 < strans) ? 1.0 : 2.0*sconst/(s1*s1*s1);
break;
case 2:
if(s1 < 1.0)
*ds2ds1 = 1.0;
else if(s1 > 15.0)
*ds2ds1 = 0.0;
else
*ds2ds1 = expms1/(expms1 + expmsmax);
break;
case 3:
*ds2ds1 = expms1*(1.0 + expmsmax)/(expms1 + expmsmax) - expms1*LOG(1.0 + expmsmax/expms1);
case 4: /* appendix of JCP 128, 194105 (2008) */
dnum = 1.0 + s14*(5.0*p4 + s1*(6.0*p5 + s1*(7.0*p6 + s1*8.0*q8*s0)));
dden = s12*s1*(4.0*q4 + s1*(5.0*q5 + s1*(6.0*q6 + s1*(7.0*q7 + s1*8.0*q8))));
*ds2ds1 = (dnum*den - num*dden)/(den*den);
}
}
static inline void
func(const XC(func_type) *p, int order, FLOAT x, FLOAT ds,
FLOAT *f, FLOAT *dfdx, FLOAT *lvrho)
{
static const FLOAT AA=1.0161144, BB=-0.37170836, CC=-0.077215461, DD=0.57786348, EE=-0.051955731;
static const FLOAT m89=-8.0/9.0;
/* Cutoff criterion below which to use polynomial expansion */
static const FLOAT EGscut=0.08, wcutoff=14, expfcutoff=700.0;
FLOAT omega, kF, ww, ww2, ww3, ww4, ww5, ww6, ww7, ww8, dwdrho;
FLOAT ss, ss2, ss3, ss4, ss5, ss6, dssdx;
FLOAT AA2, AA3, AA12, AA32, AA52;
FLOAT DHs, DHs2, DHs3, DHs4, DHs72, DHs92;
FLOAT eb1, f94Hs2_A, DHsw, DHsw2, DHsw52, DHsw72;
FLOAT Hsbw, Hsbw2, Hsbw3, Hsbw4, Hsbw12, Hsbw32, Hsbw52, Hsbw72;
FLOAT DHsbw, DHsbw2, DHsbw3, DHsbw4, DHsbw5, DHsbw12, DHsbw32, DHsbw52, DHsbw72, DHsbw92;
FLOAT HsbwA94, HsbwA942, HsbwA943, HsbwA945, HsbwA9412;
FLOAT H, F, EG, dHds, dFds, dEGds, dDHsds, dDHswdw, dHsbwds, dHsbwdw;
FLOAT term1, term2, term3, term4, term5, t10, piexperf, expei;
FLOAT dterm1ds, dterm2ds, dterm3ds, dterm4ds, dterm5ds, dterm1dw, dterm3dw, dterm4dw, dterm5dw;
FLOAT dt10ds, dt10dw, dpiexperfds, dpiexperfdw, dexpeids, dexpeidw;
assert(p->params != NULL);
omega = ((gga_x_wpbeh_params *)(p->params))->omega;
/* Note that kF has a 6 and not a 3 as it should in principle
be. This is because the HSE formula, if one would take the papers
seriously, does not fulfill the spin sum-rule. This is probably
an oversight from them. So, we have to choose, either a 6 or a 3.
Nwchem seems to have the factor of 6, but VASP and espresso have
a 3. This would amount to rescaling omega by a factor of
cbrt(2). We follow the quantum chemistry community and put the 6.
*/
kF = POW(6.0*M_PI*M_PI*ds, 1.0/3.0);
ww = omega/kF;
ww2 = ww*ww; ww3 = ww*ww2; ww4 = ww*ww3; ww5 = ww*ww4; ww6 = ww*ww5; ww7 = ww*ww6; ww8 = ww*ww7;
/* Rescaling the s values to ensure the Lieb-Oxford bound */
s_scaling(2, order, X2S*x, &ss, &dssdx);
ss2 = ss*ss;
ss3 = ss*ss2;
ss4 = ss*ss3;
ss5 = ss*ss4;
ss6 = ss*ss5;
if(order >= 1){
dwdrho = -ww/(3.0*ds);
dssdx *= X2S;
}
AA2 = AA*AA;
AA3 = AA2*AA;
AA12 = SQRT(AA);
AA32 = AA12*AA;
AA52 = AA32*AA;
/* first let us calculate H(s) */
{
static const FLOAT Ha1=0.00979681, Ha2=0.0410834, Ha3=0.187440, Ha4=0.00120824, Ha5=0.0347188;
FLOAT Hnum, Hden, dHnum, dHden;
Hnum = Ha1*ss2 + Ha2*ss4;
Hden = 1.0 + Ha3*ss4 + Ha4*ss5 + Ha5*ss6;
H = Hnum/Hden;
if(order >= 1){
dHnum = 2.0*Ha1*ss + 4.0*Ha2*ss3;
dHden = 4.0*Ha3*ss3 + 5.0*Ha4*ss4 + 6.0*Ha5*ss5;
dHds = (Hden*dHnum - Hnum*dHden)/(Hden*Hden);
}
}
/* now we calculate F(s) */
{
FLOAT Fc1, Fc2;
//Fc1 = 4.0*AA*AA/(9.0*CC) + (BB - AA*DD)/CC;
//Fc2 = -4.0/(3.0*36.0*CC);
Fc1 = 6.4753871;
Fc2 = 0.47965830;
F = Fc1*H + Fc2;
if(order >= 1)
dFds = Fc1*dHds;
}
/* useful variables for what comes next */
DHs = DD + ss2*H;
DHs2 = DHs*DHs;
DHs3 = DHs2*DHs;
DHs4 = DHs3*DHs;
DHs72 = DHs3*SQRT(DHs);
DHs92 = DHs72*DHs;
f94Hs2_A = 9.0*H*ss2/(4.0*AA);
DHsw = DHs + ww2;
DHsw2 = DHsw*DHsw;
DHsw52 = SQRT(DHsw)*DHsw2;
DHsw72 = DHsw52*DHsw;
eb1 = (ww < wcutoff) ? 1.455915450052607 : 2.0;
Hsbw = ss2*H + eb1*ww2;
Hsbw2 = Hsbw*Hsbw;
Hsbw3 = Hsbw2*Hsbw;
Hsbw4 = Hsbw3*Hsbw;
Hsbw12 = SQRT(Hsbw);
Hsbw32 = Hsbw12*Hsbw;
Hsbw52 = Hsbw32*Hsbw;
Hsbw72 = Hsbw52*Hsbw;
if(order >= 1){
dDHsds = 2.0*ss*H + ss2*dHds;
dDHswdw = 2.0*ww;
dHsbwds = ss2*dHds + 2.0*ss*H;
dHsbwdw = 2.0*eb1*ww;
}
DHsbw = DD + Hsbw; /* derivatives of DHsbw are equal to the ones of Hsbw */
DHsbw2 = DHsbw*DHsbw;
DHsbw3 = DHsbw2*DHsbw;
DHsbw4 = DHsbw3*DHsbw;
DHsbw5 = DHsbw4*DHsbw;
DHsbw12 = SQRT(DHsbw);
DHsbw32 = DHsbw12*DHsbw;
DHsbw52 = DHsbw32*DHsbw;
DHsbw72 = DHsbw52*DHsbw;
DHsbw92 = DHsbw72*DHsbw;
HsbwA94 = 9.0*Hsbw/(4.0*AA);
HsbwA942 = HsbwA94*HsbwA94;
HsbwA943 = HsbwA942*HsbwA94;
HsbwA945 = HsbwA943*HsbwA942;
HsbwA9412 = SQRT(HsbwA94);
/* and now G(s) */
if(ss > EGscut){
FLOAT Ga, Gb, dGa, dGb;
Ga = M_SQRTPI*(15.0*EE + 6.0*CC*(1.0 + F*ss2)*DHs + 4.0*BB*DHs2 + 8.0*AA*DHs3)/(16.0*DHs72)
- (3.0*M_PI/4.0)*SQRT(AA)*EXP(f94Hs2_A)*(1.0 - ERF(SQRT(f94Hs2_A)));
Gb = 15.0*M_SQRTPI*ss2/(16.0*DHs72);
EG = -(3.0*M_PI/4.0 + Ga)/Gb;
if(order >= 1){
dGa = (M_SQRTPI/32.0) *
((36.0*(2.0*H + dHds*ss)/(AA12*SQRT(H/AA)) +
(1.0/DHs92) *(-8.0*AA*dDHsds*DHs3 - 105.0*dDHsds*EE - 30.0*CC*dDHsds*DHs*(1.0 + ss2*F) +
12.0*DHs2*(-BB*dDHsds + CC*ss*(dFds*ss + 2.0*F))) -
((54.0*EXP(f94Hs2_A)*M_SQRTPI*ss*(2.0*H + dHds*ss)*ERFC(sqrt(f94Hs2_A)))/AA12)));
dGb = (15.0*M_SQRTPI*ss*(4.0*DHs - 7.0*dDHsds*ss))/(32.0*DHs92);
dEGds = (-4.0*dGa*Gb + dGb*(4.0*Ga + 3.0*M_PI))/(4.0*Gb*Gb);
}
}else{
static const FLOAT EGa1=-0.02628417880, EGa2=-0.07117647788, EGa3=0.08534541323;
EG = EGa1 + EGa2*ss2 + EGa3*ss4;
if(order >= 1){
dEGds = 2.0*EGa2*ss + 4.0*EGa3*ss3;
}
}
/* Calculate the terms needed in any case */
term2 = (DHs2*BB + DHs*CC + 2.0*EE + DHs*ss2*CC*F + 2.0*ss2*EG)/(2.0*DHs3);
term3 = -ww*(4.0*DHsw2*BB + 6.0*DHsw*CC + 15.0*EE + 6.0*DHsw*ss2*CC*F + 15.0*ss2*EG)/(8.0*DHs*DHsw52);
term4 = -ww3*(DHsw*CC + 5.0*EE + DHsw*ss2*CC*F + 5.0*ss2*EG)/(2.0*DHs2*DHsw52);
term5 = -ww5*(EE + ss2*EG)/(DHs3*DHsw52);
if(order >=1){
dterm2ds = (-6.0*dDHsds*(EG*ss2 + EE)
+ DHs2*(-dDHsds*BB + ss*CC*(dFds*ss + 2.0*F))
+ 2.0*DHs*(2.0*EG*ss - dDHsds*CC + ss2*(dEGds - dDHsds*CC*F)))
/(2.0*DHs4);
dterm3ds = ww*(2.0*dDHsds*DHsw*(4.0*DHsw2*BB + 6.0*DHsw*CC + 15.0*EE + 3.0*ss2*(5.0*EG + 2.0*DHsw*CC*F))
+ DHs*(75.0*dDHsds*(EG*ss2 + EE) + 4.0*DHsw2*(dDHsds*BB - 3.0*ss*CC*(dFds*ss + 2.0*F))
- 6.0*DHsw*(-3.0*dDHsds*CC + ss*(10.0*EG + 5.0*dEGds*ss - 3.0*dDHsds*ss*CC*F))))
/(16.0*DHs2*DHsw72);
dterm3dw = (-2.0*DHsw*(4.0*DHsw2*BB + 6.0*DHsw*CC + 15.0*EE + 3.0*ss2*(5.0*EG + 2.0*DHsw*CC*F))
+ ww*dDHswdw*(75.0*(EG*ss2 + EE) + 2.0*DHsw*(2.0*DHsw*BB + 9.0*CC + 9.0*ss2*CC*F)))
/(16.0*DHs*DHsw72);
dterm4ds = ww3*(4.0*dDHsds*DHsw*(DHsw*CC + 5.0*EE + ss2*(5.0*EG + DHsw*CC*F))
+ DHs*(25.0*dDHsds*(EG*ss2 + EE) - 2.0*DHsw2*ss*CC*(dFds*ss + 2.0*F)
+ DHsw*(3.0*dDHsds*CC + ss*(-20.0*EG - 10.0*dEGds*ss + 3.0*dDHsds*ss*CC*F))))
/(4.0*DHs3*DHsw72);
dterm4dw = ww2*(-6.0*DHsw*(DHsw*CC + 5.0*EE + ss2*(5.0*EG + DHsw*CC*F))
+ ww*dDHswdw*(25.0*(EG*ss2 + EE) + 3.0*DHsw*CC*(1.0 + ss2*F)))
/(4.0*DHs2*DHsw72);
dterm5ds = ww5*(6.0*dDHsds*DHsw*(EG*ss2 + EE) +
DHs*(-2.0*DHsw*ss*(2.0*EG + dEGds*ss) + 5.0*dDHsds*(EG*ss2 + EE)))
/(2.0*DHs4*DHsw72);
dterm5dw = ww4*5.0*(EG*ss2 + EE)*(-2.0*DHsw + dDHswdw*ww)
/(2.0*DHs3*DHsw72);
}
if((ss > 0.0) || (ww > 0.0)){
FLOAT dt10;
t10 = 0.5*AA*LOG(Hsbw/DHsbw);
if(order >= 1){
dt10 = 0.5*AA*(1.0/Hsbw - 1.0/DHsbw);
dt10ds = dt10*dHsbwds;
dt10dw = dt10*dHsbwdw;
}
}
/* Calculate exp(x)*f(x) depending on size of x */
if(HsbwA94 < expfcutoff){
piexperf = M_PI*EXP(HsbwA94)*ERFC(HsbwA9412);
expei = EXP(HsbwA94)*(-expint_e1(HsbwA94));
}else{
static const FLOAT expei1=4.03640, expei2=1.15198, expei3=5.03627, expei4=4.19160;
piexperf = M_PI*(1.0/(M_SQRTPI*HsbwA9412) - 1.0/(2.0*SQRT(M_PI*HsbwA943))+ 3.0/(4.0*SQRT(M_PI*HsbwA945)));
expei = - (1.0/HsbwA94)*(HsbwA942 + expei1*HsbwA94 + expei2)/(HsbwA942 + expei3*HsbwA94 + expei4);
}
if(order >= 1){
FLOAT dpiexperf, dexpei;
dpiexperf = -(3.0*M_SQRTPI*SQRT(Hsbw/AA))/(2.0*Hsbw) + (9.0*piexperf)/(4.0*AA);
dpiexperfds = dpiexperf*dHsbwds;
dpiexperfdw = dpiexperf*dHsbwdw;
dexpei = 1.0/Hsbw + 9.0*expei/(4.0*AA);
dexpeids = dexpei*dHsbwds;
dexpeidw = dexpei*dHsbwdw;
}
if (ww == 0.0){ /* Fall back to original expression for the PBE hole */
FLOAT t1, dt1ds, dt1dw;
if(ss > MIN_GRAD){
t1 = -0.5*AA*expei;
*f = m89*(t1 + t10 + term2);
}else{
*f = 1.0;
}
if(order >= 1){
if(ss > MIN_GRAD){
dt1ds = -0.5*AA*dexpeids;
dt1dw = -0.5*AA*dexpeidw;
*dfdx = m89*(dt1ds + dt10ds + dterm2ds);
*lvrho = m89*(dt1dw + dt10dw);
}else{
*dfdx = 0.0;
*lvrho = 0.0;
}
}
}else if(ww > wcutoff){ /* Use simple gaussian approximation for large w */
FLOAT dterm1;
term1 = -0.5*AA*(expei + LOG(DHsbw) - LOG(Hsbw));
*f = m89*(term1 + term2 + term3 + term4 + term5);
if(order >= 1){
dterm1 = -AA/(2.0*DHsbw) + m89*expei;
dterm1ds = dterm1*dHsbwds;
dterm1dw = dterm1*dHsbwdw;
*dfdx = m89*(dterm1ds + dterm2ds + dterm3ds + dterm4ds + dterm5ds);
*lvrho = m89*(dterm1dw + dterm3dw + dterm4dw + dterm5dw);
}
}else{ /* For everything else use the full blown expression */
static const FLOAT ea1=-1.128223946706117, ea2=1.452736265762971, ea3=-1.243162299390327,
ea4=0.971824836115601, ea5=-0.568861079687373, ea6=0.246880514820192, ea7=-0.065032363850763,
ea8=0.008401793031216;
FLOAT np1, np2, t1, f2, f3, f4, f5, f6, f7, f8, f9, t2t9;
FLOAT dnp1dw, dnp2dw, dt1ds, dt1dw, df2, df2ds, df2dw, df3, df3ds, df3dw;
FLOAT df4, df4ds, df4dw, df5, df5ds, df5dw, df6, df6ds, df6dw, df7ds, df7dw;
FLOAT df8, df8ds, df8dw, df9, df9ds, df9dw, dt2t9ds, dt2t9dw;
np1 = -1.5*ea1*AA12*ww + 27.0*ea3*ww3/(8.0*AA12) - 243.0*ea5*ww5/(32.0*AA32) + 2187.0*ea7*ww7/(128.0*AA52);
np2 = -AA + 9.0*ea2*ww2/4.0 - 81.0*ea4*ww4/(16.0*AA) + 729.0*ea6*ww6/(64.0*AA2) - 6561.0*ea8*ww8/(256.0*AA3);
t1 = 0.5*(np1*piexperf + np2*expei);
f2 = 0.5*ea1*M_SQRTPI*AA/DHsbw12;
f3 = 0.5*ea2*AA/DHsbw;
f4 = ea3*M_SQRTPI*(-9.0/(8.0*Hsbw12) + 0.25*AA/DHsbw32);
f5 = (ea4/128.0)*(-144.0/Hsbw + 64.0*AA/DHsbw2);
f6 = ea5*(3.0*M_SQRTPI*(3.0*DHsbw52*(9.0*Hsbw - 2.0*AA)
+ 4.0*Hsbw32*AA2))/(32.0*DHsbw52*Hsbw32*AA);
f7 = ea6*((32.0*AA/DHsbw3 + (-36.0 + 81.0*ss2*H/AA)/Hsbw2))/32.0;
f8 = ea7*(-3.0*M_SQRTPI*(-40.0*Hsbw52*AA3 + 9.0*DHsbw72*(27.0*Hsbw2 - 6.0*Hsbw*AA + 4.0*AA2)))/(128.0*DHsbw72*Hsbw52*AA2);
f9 = (324.0*ea6*eb1*DHsbw4*Hsbw*AA + ea8*(384.0*Hsbw3*AA3 + DHsbw4*(-729.0*Hsbw2 + 324.0*Hsbw*AA - 288.0*AA2)))/(128.0*DHsbw4*Hsbw3*AA2);
t2t9 = f2*ww + f3*ww2 + f4*ww3 + f5*ww4 + f6*ww5 + f7*ww6 + f8*ww7 + f9*ww8;
term1 = t1 + t2t9 + t10;
*f = m89*(term1 + term2 + term3 + term4 + term5);
if(order >= 1){
dnp1dw = -1.5*ea1*AA12 + 81.0*ea3*ww2/(8.0*AA12) - 1215.0*ea5*ww4/(32.0*AA32)
+ (15309.0*ea7*ww6)/(128.0*AA52);
dnp2dw = 0.5*9.0*ea2*ww - 81.0*ea4*ww3/(4.0*AA) + 2187.0*ea6*ww5/(32.0*AA2)
- 6561.0*ea8*ww7/(32.0*AA3);
dt1ds = 0.5*(dpiexperfds*np1 + dexpeids*np2);
dt1dw = 0.5*(dnp2dw*expei + dpiexperfdw*np1 + dexpeidw*np2 + dnp1dw*piexperf);
df2 = -ea1*M_SQRTPI*AA/(4.0*DHsbw32);
df2ds = df2*dHsbwds;
df2dw = df2*dHsbwdw;
df3 = -ea2*AA/(2.0*DHsbw2);
df3ds = df3*dHsbwds;
df3dw = df3*dHsbwdw;
df4 = ea3*M_SQRTPI*(9.0/(16.0*Hsbw32)- 3.0*AA/(8.0*DHsbw52));
df4ds = df4*dHsbwds;
df4dw = df4*dHsbwdw;
df5 = ea4*(9.0/(8.0*Hsbw2) - AA/DHsbw3);
df5ds = df5*dHsbwds;
df5dw = df5*dHsbwdw;
df6 = ea5*M_SQRTPI*(27.0/(32.0*Hsbw52)- 81.0/(64.0*Hsbw32*AA) - 15.0*AA/(16.0*DHsbw72));
df6ds = df6*dHsbwds;
df6dw = df6*dHsbwdw;
df7ds = ea6*(3.0*(27.0*dHds*DHsbw4*Hsbw*ss2 + 8.0*dHsbwds*AA*(3.0*DHsbw4 - 4.0*Hsbw3*AA) +
54.0*DHsbw4*ss*(Hsbw - dHsbwds*ss)*H))/(32.0*DHsbw4*Hsbw3*AA);
df7dw = ea6*dHsbwdw*(9.0/(4.0*Hsbw3) - 3.0*AA/DHsbw4 - 81.0*ss2*H/(16.0*Hsbw3*AA));
df8 = ea7*M_SQRTPI*(135.0/(64.0*Hsbw72) + 729.0/(256.0*Hsbw32*AA2)
- 243.0/(128.0*Hsbw52*AA) - 105.0*AA/(32.0*DHsbw92));
df8ds = df8*dHsbwds;
df8dw = df8*dHsbwdw;
df9 = -81.0*ea6*eb1/(16.0*Hsbw3*AA) +
ea8*(27.0/(4.0*Hsbw4) + 729.0/(128.0*Hsbw2*AA2) - 81.0/(16.0*Hsbw3*AA) - 12.0*AA/DHsbw5);
df9ds = df9*dHsbwds;
df9dw = df9*dHsbwdw;
dt2t9ds = df2ds*ww + df3ds*ww2 + df4ds*ww3 + df5ds*ww4 +
df6ds*ww5 + df7ds*ww6 + df8ds*ww7 + df9ds*ww8;
dt2t9dw = f2 + df2dw*ww + 2.0*f3*ww + df3dw*ww2 +
3.0*f4*ww2 + df4dw*ww3 + 4.0*f5*ww3 + df5dw*ww4 +
5.0*f6*ww4 + df6dw*ww5 + 6.0*f7*ww5 + df7dw*ww6 +
7.0*f8*ww6 + df8dw*ww7 + 8.0*f9*ww7 + df9dw*ww8;
dterm1ds = dt1ds + dt2t9ds + dt10ds;
dterm1dw = dt1dw + dt2t9dw + dt10dw;
*dfdx = m89*(dterm1ds + dterm2ds + dterm3ds + dterm4ds + dterm5ds);
*lvrho = m89*(dterm1dw + dterm3dw + dterm4dw + dterm5dw);
}
}
/* scale and convert to the right variables */
if(order >= 1){
*dfdx *= dssdx;
*lvrho *= dwdrho;
}
}
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_wpbeh) = {
XC_GGA_X_WPBEH,
XC_EXCHANGE,
"short-range part of the PBE (default w=0 gives PBEh)",
XC_FAMILY_GGA,
"J Heyd, GE Scuseria, and M Ernzerhof, J. Chem. Phys. 118, 8207 (2003)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_wpbeh_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/lda_c_rc04.c 0000664 0001750 0001750 00000006504 12471363260 012376 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_LDA_C_RC04 27 /* Ragot-Cortona */
void
XC(lda_c_rc04_func)(const XC(func_type) *p, XC(lda_work_t) *r)
{
static FLOAT AA=-0.655868, BB=4.888270, CC=3.177037, DD=0.897889;
FLOAT ek, dek, d2ek, d3ek, aux, aux2;
FLOAT opz, omz, opz13, omz13, _opz13, _omz13, _opz43, _omz43, _opz73, _omz73, fz, fz2, dfz, d2fz, d3fz;
aux = BB + CC*r->rs[1];
ek = (AA*ATAN(aux) + DD)/r->rs[1];
if(p->nspin == XC_POLARIZED){
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
opz13 = CBRT(opz);
omz13 = CBRT(omz);
fz = 0.5*(opz13*opz13 + omz13*omz13);
fz2 = fz*fz;
r->zk = ek*fz2*fz;
}else
r->zk = ek;
if(r->order < 1) return;
aux2 = 1.0 + aux*aux;
dek = AA*CC/(r->rs[1]*aux2) - ek/r->rs[1];
if(p->nspin == XC_POLARIZED){
_opz13 = (opz == 0.0) ? 0.0 : 1.0/opz13;
_omz13 = (omz == 0.0) ? 0.0 : 1.0/omz13;
dfz = (_opz13 - _omz13)/3.0;
r->dedrs = dek*fz2*fz;
r->dedz = ek*3.0*fz2*dfz;
}else{
r->dedrs = dek;
r->dedz = 0.0;
}
if(r->order < 2) return;
d2ek = -2.0*AA*CC*CC*aux/(r->rs[1]*aux2*aux2) - 2.0*dek/r->rs[1];
if(p->nspin == XC_POLARIZED){
_opz43 = (opz == 0.0) ? 0.0 : 1.0/(opz*opz13);
_omz43 = (omz == 0.0) ? 0.0 : 1.0/(omz*omz13);
d2fz = -(_opz43 + _omz43)/9.0;
r->d2edrs2 = d2ek*fz2*fz;
r->d2edrsz = dek*3.0*fz2*dfz;
r->d2edz2 = ek*3.0*fz*(2.0*dfz*dfz + fz*d2fz);
}else{
r->d2edrs2 = d2ek;
r->d2edrsz = 0.0;
r->d2edz2 = 0.0;
}
if(r->order < 3) return;
d3ek = 2.0*AA*CC*CC*CC/(r->rs[1]*aux2*aux2)*(4.0*aux*aux/aux2 - 1.0) - 3.0*d2ek/r->rs[1];
if(p->nspin == XC_POLARIZED){
_opz73 = (opz == 0.0) ? 0.0 : 1.0/(opz*opz*opz13);
_omz73 = (omz == 0.0) ? 0.0 : 1.0/(omz*omz*omz13);
d3fz = (_opz73 - _omz73)*4.0/27.0;
r->d3edrs3 = d3ek*fz2*fz;
r->d3edrs2z = d2ek*3.0*fz2*dfz;
r->d3edrsz2 = dek*3.0*fz*(2.0*dfz*dfz + fz*d2fz);
r->d3edz3 = ek*3.0*(dfz*dfz*dfz + 6.0*fz*dfz*d2fz + fz2*d3fz);
}else{
r->d3edrs3 = d3ek;
r->d3edrs2z = 0.0;
r->d3edrsz2 = 0.0;
r->d3edz3 = 0.0;
}
}
#define func XC(lda_c_rc04_func)
#include "work_lda.c"
#undef func
const XC(func_info_type) XC(func_info_lda_c_rc04) = {
XC_LDA_C_RC04,
XC_CORRELATION,
"Ragot-Cortona",
XC_FAMILY_LDA,
"S Ragot and P Cortona, J. Chem. Phys. 121, 7671 (2004)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-25, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/libxc_master.F90 0000664 0001750 0001750 00000052017 12471363260 013274 0000000 0000000 !! Copyright (C) 2003-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
!!
!! This program is free software; you can redistribute it and/or modify
!! it under the terms of the GNU Lesser General Public License as published by
!! the Free Software Foundation; either version 2, or (at your option)
!! any later version.
!!
!! This program is distributed in the hope that it will be useful,
!! but WITHOUT ANY WARRANTY; without even the implied warranty of
!! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
!! GNU Lesser General Public License for more details.
!!
!! You should have received a copy of the GNU Lesser General Public License
!! along with this program; if not, write to the Free Software
!! Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
!! 02110-1301, USA.
!!
!! $Id: libxc.f90 3550 2007-11-19 14:32:49Z marques $
#ifdef SINGLE_PRECISION
# define XC_F90(x) xc_s_f90_ ## x
#else
# define XC_F90(x) xc_f90_ ## x
#endif
!-------------------------------------------------------------------
module XC_F90(types_m)
#ifdef SINGLE_PRECISION
integer, public, parameter :: xc_f90_kind = selected_real_kind(4)
#else
integer, public, parameter :: xc_f90_kind = selected_real_kind(14)
#endif
type XC_F90(pointer_t)
private
integer, pointer :: buffer
end type XC_F90(pointer_t)
end module XC_F90(types_m)
!-------------------------------------------------------------------
module XC_F90(lib_m)
use XC_F90(types_m)
use libxc_funcs_m
implicit none
public
! Families of xc functionals
integer, parameter :: &
XC_FAMILY_UNKNOWN = -1, &
XC_FAMILY_NONE = 0, &
XC_FAMILY_LDA = 1, &
XC_FAMILY_GGA = 2, &
XC_FAMILY_MGGA = 4, &
XC_FAMILY_LCA = 8, &
XC_FAMILY_OEP = 16, &
XC_FAMILY_HYB_GGA = 32, &
XC_FAMILY_HYB_MGGA = 64
integer, parameter :: &
XC_UNPOLARIZED = 1, & ! Spin unpolarized
XC_POLARIZED = 2 ! Spin polarized
integer, parameter :: &
XC_NON_RELATIVISTIC = 0, & ! Functional includes or not relativistic
XC_RELATIVISTIC = 1 ! corrections. Only available in some functionals.
! Kinds
integer, parameter :: &
XC_EXCHANGE = 0, &
XC_CORRELATION = 1, &
XC_EXCHANGE_CORRELATION = 2, &
XC_KINETIC = 3
integer, parameter :: &
XC_FLAGS_HAVE_EXC = 1, &
XC_FLAGS_HAVE_VXC = 2, &
XC_FLAGS_HAVE_FXC = 4, &
XC_FLAGS_HAVE_KXC = 8, &
XC_FLAGS_HAVE_LXC = 16, &
XC_FLAGS_1D = 32, &
XC_FLAGS_2D = 64, &
XC_FLAGS_3D = 128, &
XC_FLAGS_STABLE = 512, &
XC_FLAGS_DEVELOPMENT = 1024
! These are old names keep for compatibility, and that should disappear soon
integer, parameter :: XC_GGA_XC_LB = 160
integer, parameter :: XC_GGA_K_ABSR1 = 506
integer, parameter :: XC_GGA_K_ABSR2 = 507
!----------------------------------------------------------------
interface
subroutine XC_F90(version)(major, minor)
integer, intent(out) :: major, minor
end subroutine XC_F90(version)
end interface
!----------------------------------------------------------------
interface
integer function XC_F90(info_number)(info)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: info
end function XC_F90(info_number)
integer function XC_F90(info_kind)(info)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: info
end function XC_F90(info_kind)
subroutine XC_F90(info_name)(info, s)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: info
character(len=*), intent(out) :: s
end subroutine XC_F90(info_name)
integer function XC_F90(info_family)(info)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: info
end function XC_F90(info_family)
integer function XC_F90(info_flags)(info)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: info
end function XC_F90(info_flags)
subroutine XC_F90(info_refs)(info, number, str, s)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: info
integer, intent(inout) :: number ! number of the reference. Must be 0 in the first call
type(XC_F90(pointer_t)), intent(inout) :: str ! this will hold a (char **) pointer
character(len=*), intent(out) :: s ! the string that is output
end subroutine XC_F90(info_refs)
subroutine XC_F90(functional_get_name)(func_number, func_string)
integer, intent(in) :: func_number
character(len=256), intent(out) :: func_string
end subroutine XC_F90(functional_get_name)
integer function XC_F90(functional_get_number)(func_string)
character(len=*), intent(in) :: func_string
end function XC_F90(functional_get_number)
integer function XC_F90(family_from_id)(id)
use XC_F90(types_m)
integer, intent(in) :: id
end function XC_F90(family_from_id)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(func_init)(p, info, functional, nspin)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(out) :: p
type(XC_F90(pointer_t)), intent(out) :: info
integer, intent(in) :: functional
integer, intent(in) :: nspin
end subroutine XC_F90(func_init)
subroutine XC_F90(func_end)(p)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
end subroutine XC_F90(func_end)
end interface
! LDAs
!----------------------------------------------------------------
interface
subroutine XC_F90(lda)(p, np, rho, zk, vrho, fxc, kxc)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(out) :: zk ! the energy per unit particle
real(xc_f90_kind), intent(out) :: vrho ! v(nspin) the potential
real(xc_f90_kind), intent(out) :: fxc ! v(nspin,nspin) the xc kernel
real(xc_f90_kind), intent(out) :: kxc ! v(nspin,nspin,nspin) the derivative of xc kernel
end subroutine XC_F90(lda)
subroutine XC_F90(lda_exc)(p, np, rho, zk)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(out) :: zk ! the energy per unit particle
end subroutine XC_F90(lda_exc)
subroutine XC_F90(lda_exc_vxc)(p, np, rho, e, v)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(out) :: e ! the energy per unit particle
real(xc_f90_kind), intent(out) :: v ! v(nspin) the potential
end subroutine XC_F90(lda_exc_vxc)
subroutine XC_F90(lda_vxc)(p, np, rho, v)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(out) :: v ! v(nspin) the potential
end subroutine XC_F90(lda_vxc)
subroutine XC_F90(lda_fxc)(p, np, rho, fxc)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(out) :: fxc ! v(nspin,nspin) the xc kernel
end subroutine XC_F90(lda_fxc)
subroutine XC_F90(lda_kxc)(p, np, rho, kxc)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(out) :: kxc
end subroutine XC_F90(lda_kxc)
end interface
interface
subroutine XC_F90(lda_x_1d_set_par)(p, interaction, bb)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
integer, intent(in) :: interaction
real(xc_f90_kind), intent(in) :: bb
end subroutine XC_F90(lda_x_1d_set_par)
subroutine XC_F90(lda_c_xalpha_set_par)(p, alpha)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
real(xc_f90_kind), intent(in) :: alpha
end subroutine XC_F90(lda_c_xalpha_set_par)
subroutine XC_F90(lda_x_set_par)(p, alpha, relativistic, omega)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
real(xc_f90_kind), intent(in) :: alpha ! of Xalpha, set to 4/3 to obtain standard LDA
integer, intent(in) :: relativistic
real(xc_f90_kind), intent(in) :: omega
end subroutine XC_F90(lda_x_set_par)
subroutine XC_F90(lda_c_1d_csc_set_par)(p, interaction, bb)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
integer, intent(in) :: interaction
real(xc_f90_kind), intent(in) :: bb
end subroutine XC_F90(lda_c_1d_csc_set_par)
subroutine XC_F90(lda_c_2d_prm_set_par)(p, N)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
real(xc_f90_kind), intent(in) :: N
end subroutine XC_F90(lda_c_2d_prm_set_par)
end interface
! GGAs
!----------------------------------------------------------------
interface
subroutine XC_F90(gga)(p, np, rho, sigma, zk, vrho, vsigma, &
v2rho2, v2rhosigma, v2sigma2, v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(out) :: zk
real(xc_f90_kind), intent(out) :: vrho
real(xc_f90_kind), intent(out) :: vsigma
real(xc_f90_kind), intent(out) :: v2rho2
real(xc_f90_kind), intent(out) :: v2rhosigma
real(xc_f90_kind), intent(out) :: v2sigma2
real(xc_f90_kind), intent(out) :: v3rho3
real(xc_f90_kind), intent(out) :: v3rho2sigma
real(xc_f90_kind), intent(out) :: v3rhosigma2
real(xc_f90_kind), intent(out) :: v3sigma3
end subroutine XC_F90(gga)
subroutine XC_F90(gga_exc)(p, np, rho, sigma, zk)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(out) :: zk
end subroutine XC_F90(gga_exc)
subroutine XC_F90(gga_exc_vxc)(p, np, rho, sigma, zk, vrho, vsigma)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(out) :: zk
real(xc_f90_kind), intent(out) :: vrho
real(xc_f90_kind), intent(out) :: vsigma
end subroutine XC_F90(gga_exc_vxc)
subroutine XC_F90(gga_vxc)(p, np, rho, sigma, vrho, vsigma)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(out) :: vrho
real(xc_f90_kind), intent(out) :: vsigma
end subroutine XC_F90(gga_vxc)
subroutine XC_F90(gga_fxc)(p, np, rho, sigma, v2rho2, v2rhosigma, v2sigma2)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(out) :: v2rho2
real(xc_f90_kind), intent(out) :: v2rhosigma
real(xc_f90_kind), intent(out) :: v2sigma2
end subroutine XC_F90(gga_fxc)
subroutine XC_F90(gga_kxc)(p, np, rho, sigma, v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(out) :: v3rho3
real(xc_f90_kind), intent(out) :: v3rho2sigma
real(xc_f90_kind), intent(out) :: v3rhosigma2
real(xc_f90_kind), intent(out) :: v3sigma3
end subroutine XC_F90(gga_kxc)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(gga_lb_set_par)(p, modified, threshold, ip, qtot)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: modified ! should we use the modified version
real(xc_f90_kind), intent(in) :: threshold ! if so, the threshold to use the asymtotic version
real(xc_f90_kind), intent(in) :: ip ! ionization potential
real(xc_f90_kind), intent(in) :: qtot ! total charge
end subroutine XC_F90(gga_lb_set_par)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(gga_lb_modified)(p, np, rho, grho, r, dedd)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho ! rho(nspin) the density
real(xc_f90_kind), intent(in) :: grho ! grho(3,nspin) the gradient of the density
real(xc_f90_kind), intent(in) :: r ! distance from center of finite system
real(xc_f90_kind), intent(out) :: dedd
end subroutine XC_F90(gga_lb_modified)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(gga_x_wpbeh_set_par)(p, omega)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
real(xc_f90_kind), intent(in) :: omega ! range separation
end subroutine XC_F90(gga_x_wpbeh_set_par)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(gga_x_hjs_set_par)(p, omega)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
real(xc_f90_kind), intent(in) :: omega ! range separation
end subroutine XC_F90(gga_x_hjs_set_par)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(gga_ak13_get_asymptotic)(homo, asymp)
use XC_F90(types_m)
real(xc_f90_kind), intent(in) :: homo
real(xc_f90_kind), intent(out) :: asymp
end subroutine XC_F90(gga_ak13_get_asymptotic)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(hyb_exx_coef)(p, coef)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
real(xc_f90_kind), intent(out) :: coef
end subroutine XC_F90(hyb_exx_coef)
subroutine XC_F90(hyb_cam_coef)(p, omega, alpha, beta)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
real(xc_f90_kind), intent(out) :: omega, alpha, beta
end subroutine XC_F90(hyb_cam_coef)
end interface
!----------------------------------------------------------------
interface
subroutine XC_F90(hyb_gga_xc_hse_set_par)(p, beta, omega)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
real(xc_f90_kind), intent(in) :: beta ! mixing
real(xc_f90_kind), intent(in) :: omega ! range separation
end subroutine XC_F90(hyb_gga_xc_hse_set_par)
subroutine XC_F90(hyb_gga_xc_pbeh_set_par)(p, alpha)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
real(xc_f90_kind), intent(in) :: alpha ! mixing
end subroutine XC_F90(hyb_gga_xc_pbeh_set_par)
end interface
! the meta-GGAs
!----------------------------------------------------------------
interface
subroutine XC_F90(mgga)(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, &
v2rho2, v2sigma2, v2lapl2, v2tau2, v2rhosigma, v2rholapl, v2rhotau, &
v2sigmalapl, v2sigmatau, v2lapltau)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(in) :: lapl
real(xc_f90_kind), intent(in) :: tau
real(xc_f90_kind), intent(out) :: zk
real(xc_f90_kind), intent(out) :: vrho
real(xc_f90_kind), intent(out) :: vsigma
real(xc_f90_kind), intent(out) :: vlapl
real(xc_f90_kind), intent(out) :: vtau
real(xc_f90_kind), intent(out) :: v2rho2
real(xc_f90_kind), intent(out) :: v2sigma2
real(xc_f90_kind), intent(out) :: v2lapl2
real(xc_f90_kind), intent(out) :: v2tau2
real(xc_f90_kind), intent(out) :: v2rhosigma
real(xc_f90_kind), intent(out) :: v2rholapl
real(xc_f90_kind), intent(out) :: v2rhotau
real(xc_f90_kind), intent(out) :: v2sigmalapl
real(xc_f90_kind), intent(out) :: v2sigmatau
real(xc_f90_kind), intent(out) :: v2lapltau
end subroutine XC_F90(mgga)
subroutine XC_F90(mgga_exc)(p, np, rho, sigma, lapl, tau, zk)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(in) :: lapl
real(xc_f90_kind), intent(in) :: tau
real(xc_f90_kind), intent(out) :: zk
end subroutine XC_F90(mgga_exc)
subroutine XC_F90(mgga_exc_vxc)(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(in) :: lapl
real(xc_f90_kind), intent(in) :: tau
real(xc_f90_kind), intent(out) :: zk
real(xc_f90_kind), intent(out) :: vrho
real(xc_f90_kind), intent(out) :: vsigma
real(xc_f90_kind), intent(out) :: vlapl
real(xc_f90_kind), intent(out) :: vtau
end subroutine XC_F90(mgga_exc_vxc)
subroutine XC_F90(mgga_vxc)(p, np, rho, sigma, lapl, tau, vrho, vsigma, vlapl, vtau)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(in) :: lapl
real(xc_f90_kind), intent(in) :: tau
real(xc_f90_kind), intent(out) :: vrho
real(xc_f90_kind), intent(out) :: vsigma
real(xc_f90_kind), intent(out) :: vlapl
real(xc_f90_kind), intent(out) :: vtau
end subroutine XC_F90(mgga_vxc)
subroutine XC_F90(mgga_fxc)(p, np, rho, sigma, lapl, tau, &
v2rho2, v2sigma2, v2lapl2, v2tau2, v2rhosigma, v2rholapl, v2rhotau, &
v2sigmalapl, v2sigmatau, v2lapltau)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(in) :: p
integer, intent(in) :: np
real(xc_f90_kind), intent(in) :: rho
real(xc_f90_kind), intent(in) :: sigma
real(xc_f90_kind), intent(in) :: lapl
real(xc_f90_kind), intent(in) :: tau
real(xc_f90_kind), intent(out) :: v2rho2
real(xc_f90_kind), intent(out) :: v2sigma2
real(xc_f90_kind), intent(out) :: v2lapl2
real(xc_f90_kind), intent(out) :: v2tau2
real(xc_f90_kind), intent(out) :: v2rhosigma
real(xc_f90_kind), intent(out) :: v2rholapl
real(xc_f90_kind), intent(out) :: v2rhotau
real(xc_f90_kind), intent(out) :: v2sigmalapl
real(xc_f90_kind), intent(out) :: v2sigmatau
real(xc_f90_kind), intent(out) :: v2lapltau
end subroutine XC_F90(mgga_fxc)
end interface
interface
subroutine XC_F90(mgga_x_tb09_set_par)(p, cc)
use XC_F90(types_m)
type(XC_F90(pointer_t)), intent(inout) :: p
real(xc_f90_kind), intent(in) :: cc
end subroutine XC_F90(mgga_x_tb09_set_par)
end interface
end module XC_F90(lib_m)
!! Local Variables:
!! mode: f90
!! coding: utf-8
!! End:
libxc-2.1.2/src/gga_x_q2d.c 0000664 0001750 0001750 00000005365 12471363260 012343 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_Q2D 48 /* Chiodo et al */
static void
gga_x_q2D_init(XC(func_type) *p)
{
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_GGA_X_PBE_SOL, p->nspin);
}
void XC(gga_x_q2d_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const FLOAT cc = 100, c1 = 0.5217;
FLOAT ss, ss2, ss4, ss6, ss_2, a, da, d2a, d3a;
FLOAT f1, df1, d2f1, d3f1, f2, df2, d2f2, d3f2;
ss = X2S*x;
ss2 = ss*ss;
ss4 = ss2*ss2;
ss6 = ss2*ss4;
ss_2 = SQRT(ss);
XC(gga_x_pbe_enhance)(p->func_aux[0], order, x, &a, &da, &d2a, &d3a);
f1 = a*(cc - ss4) + c1*ss*ss2*ss_2*(1.0 + ss2);
f2 = cc + ss6;
*f = f1/f2;
if(order < 1) return;
da /= X2S;
df1 = da*(cc - ss4) - 4.0*a*ss*ss2 + c1*ss2*ss_2*(7.0 + 11.0*ss2)/2.0;
df2 = 6.0*ss*ss4;
*dfdx = X2S*DFRACTION(f1, df1, f2, df2);
if(order < 2) return;
d2a /= X2S*X2S;
d2f1 = d2a*(cc - ss4) - 8.0*da*ss*ss2 - 12.0*a*ss2 + c1*ss*ss_2*(35.0 + 99.0*ss2)/4.0;
d2f2 = 30.0*ss4;
*d2fdx2 = X2S*X2S*D2FRACTION(f1, df1, d2f1, f2, df2, d2f2);
if(order < 3) return;
d3a /= X2S*X2S*X2S;
d3f1 = d3a*(cc - ss4) - 12.0*ss*ss2*d2a - 36.0*da*ss2 - 24.0*a*ss + 21.0*c1*ss_2*(5.0 + 33.0*ss2)/8.0;
d3f2 = 120.0*ss*ss2;
*d3fdx3 = X2S*X2S*X2S*D3FRACTION(f1, df1, d2f1, d3f1, f2, df2, d2f2, d3f2);
}
#define func XC(gga_x_q2d_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_q2d) = {
XC_GGA_X_Q2D,
XC_EXCHANGE,
"Chiodo et al",
XC_FAMILY_GGA,
"L Chiodo, LA Constantin, E Fabiano, and F Della Sala, Phys. Rev. Lett. 108, 126402 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-23, 0.0, 1e-32,
gga_x_q2D_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_x_sogga11.c 0000664 0001750 0001750 00000011415 12471363260 013110 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_SOGGA11 151 /* Second-order generalized gradient approximation 2011 */
#define XC_HYB_GGA_X_SOGGA11_X 426 /* Hybrid based on SOGGA11 form */
static void
gga_x_sogga11_init(XC(func_type) *p)
{
switch(p->info->number){
case XC_GGA_X_SOGGA11:
p->func = 0;
break;
case XC_HYB_GGA_X_SOGGA11_X:
p->func = 1;
p->cam_alpha = 0.4015;
break;
default:
fprintf(stderr, "Internal error in gga_x_sogga11\n");
exit(1);
}
}
void XC(gga_x_sogga11_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
const FLOAT kappa = 0.552;
const FLOAT mu = 10.0/81.0;
const FLOAT alpha = mu*X2S*X2S/kappa;
const FLOAT aa[][6] = {
{0.50000, -2.95535, 15.7974, -91.1804, 96.2030, 0.18683}, /* SOGGA11 */
{0.29925, 3.21638, -3.55605, 7.65852, -11.2830, 5.25813} /* SOGGA11-X. Values from authors' implementation (MFM 1.8), not original paper! */
};
const FLOAT bb[][6] = {
{0.50000, 3.50743, -12.9523, 49.7870, -33.2545, -11.1396}, /* SOGGA11 */
{0.29925, -2.88595, 3.23617, -2.45393, -3.75495, 3.96613} /* SOGGA11-X. Values from authors' implementation (MFM 1.8), not original paper! */
};
FLOAT f0, df0, d2f0, d3f0, den0, den1, t0, dt0, d2t0, d3t0, t1, dt1, d2t1, d3t1, f1, df1, d2f1, d3f1;
den0 = -1.0/(1.0 + alpha*x*x);
f0 = 1.0 + den0;
den1 = -EXP(-alpha*x*x);
f1 = 1.0 + den1;
t0 = aa[p->func][0] + f0*(aa[p->func][1] + f0*(aa[p->func][2] + f0*(aa[p->func][3] + f0*(aa[p->func][4] + f0*aa[p->func][5]))));
t1 = bb[p->func][0] + f1*(bb[p->func][1] + f1*(bb[p->func][2] + f1*(bb[p->func][3] + f1*(bb[p->func][4] + f1*bb[p->func][5]))));
*f = t0;
*f += t1;
if(order < 1) return;
df0 = 2.0*alpha*x*den0*den0;
df1 = -2.0*alpha*x*den1;
dt0 = aa[p->func][1] + f0*(2.0*aa[p->func][2] + f0*(3.0*aa[p->func][3] + f0*(4.0*aa[p->func][4] + f0*5.0*aa[p->func][5])));
dt1 = bb[p->func][1] + f1*(2.0*bb[p->func][2] + f1*(3.0*bb[p->func][3] + f1*(4.0*bb[p->func][4] + f1*5.0*bb[p->func][5])));
*dfdx = dt0*df0;
*dfdx += dt1*df1;
if(order < 2) return;
d2f0 = 2.0*alpha*(3.0*alpha*x*x - 1.0)*den0*den0*den0;
d2f1 = 2.0*alpha*(2.0*alpha*x*x - 1.0)*den1;
d2t0 = 2.0*aa[p->func][2] + f0*(3.0*2.0*aa[p->func][3] + f0*(4.0*3.0*aa[p->func][4] + f0*5.0*4.0*aa[p->func][5]));
d2t1 = 2.0*bb[p->func][2] + f1*(3.0*2.0*bb[p->func][3] + f1*(4.0*3.0*bb[p->func][4] + f1*5.0*4.0*bb[p->func][5]));
*d2fdx2 = dt0*d2f0 + df0*df0*d2t0;
*d2fdx2 += dt1*d2f1 + df1*df1*d2t1;
if(order < 3) return;
d3f0 = 24.0*alpha*alpha*x*(alpha*x*x - 1.0)*den0*den0*den0*den0;
d3f1 = -4.0*alpha*alpha*x*(2.0*alpha*x*x - 3.0)*den1;
d3t0 = 3.0*2.0*aa[p->func][3] + f0*(4.0*3.0*2.0*aa[p->func][4] + f0*5.0*4.0*3.0*aa[p->func][5]);
d3t1 = 3.0*2.0*bb[p->func][3] + f1*(4.0*3.0*2.0*bb[p->func][4] + f1*5.0*4.0*3.0*bb[p->func][5]);
*d3fdx3 = 3.0*df0*d2f0*d2t0 + dt0*d3f0 + df0*df0*df0*d3t0;
*d3fdx3 += 3.0*df1*d2f1*d2t1 + dt1*d3f1 + df1*df1*df1*d3t1;
}
#define func XC(gga_x_sogga11_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_sogga11) = {
XC_GGA_X_SOGGA11,
XC_EXCHANGE,
"Second-order generalized gradient approximation 2011",
XC_FAMILY_GGA,
"R Peverati, Y Zhao, and DG Truhlar, J. Phys. Chem. Lett. 2, 1991-1997 (2011)\n"
"http://comp.chem.umn.edu/mfm/index.html",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-31, 1e-32, 0.0, 1e-32,
gga_x_sogga11_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_x_sogga11_x) = {
XC_HYB_GGA_X_SOGGA11_X,
XC_EXCHANGE,
"Hybrid based on SOGGA11 form",
XC_FAMILY_HYB_GGA,
"R Peverati and DG Truhlar, J. Chem. Phys. 135, 191102 (2011)\n"
"http://comp.chem.umn.edu/mfm/index.html",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-31, 1e-32, 0.0, 1e-32,
gga_x_sogga11_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_c_tca.c 0000664 0001750 0001750 00000012175 12471363260 012374 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_C_TCA 100 /* Tognetti, Cortona, Adamo */
#define XC_GGA_C_REVTCA 99 /* Tognetti, Cortona, Adamo (revised) */
static void
gga_c_tca_init(XC(func_type) *p)
{
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_LDA_C_RC04, p->nspin);
}
static inline void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
const FLOAT sigma=1.43, alpha=2.30;
const FLOAT xconv = X2S*M_CBRT2;
FLOAT ss, ssalpha, aux, Bs, dBs, d2Bs;
FLOAT zeta2, zeta4, aa, arg, dargdrs, dargdxt, sinc, dsinc, DD, dDDdz, dDDdrs, dDDdxt;
FLOAT d2sinc, d2argdrs2, d2argdrsxt, d2DDdrs2, d2DDdrsz, d2DDdrsxt, d2DDdz2, d2DDdzxt, d2DDdxt2;
XC(lda_work_t) pw;
pw.order = r->order;
pw.rs[0] = SQRT(r->rs);
pw.rs[1] = r->rs;
pw.rs[2] = r->rs*r->rs;
pw.zeta = r->zeta;
XC(lda_c_rc04_func)(p->func_aux[0], &pw);
ss = xconv*r->xt;
ssalpha = POW(ss, alpha);
aux = 1.0 + sigma*ssalpha;
Bs = 1.0/aux;
if(p->info->number == XC_GGA_C_REVTCA){
zeta2 = r->zeta*r->zeta;
zeta4 = zeta2*zeta2;
aa = M_PI*CBRT(9.0*M_PI/4.0);
arg = aa*ss/r->rs;
sinc = (arg == 0.0) ? 1.0 : SIN(arg)/arg;
DD = 1.0 - zeta4*(1.0 - sinc*sinc);
}else{
DD = 1.0;
}
r->f = pw.zk*Bs*DD;
if(r->order < 1) return;
dBs = -sigma*alpha*ssalpha * xconv/(ss*aux*aux);
if(p->info->number == XC_GGA_C_REVTCA){
dsinc = (arg == 0.0) ? 0.0 : COS(arg)/arg - SIN(arg)/(arg*arg);
dargdrs = -arg/r->rs;
dargdxt = aa*xconv/r->rs;
dDDdrs = 2.0*zeta4*sinc*dsinc*dargdrs;
dDDdxt = 2.0*zeta4*sinc*dsinc*dargdxt;
dDDdz = -4.0*r->zeta*zeta2*(1.0 - sinc*sinc);
}else{
dDDdrs = 0.0;
dDDdz = 0.0;
dDDdxt = 0.0;
}
r->dfdrs = Bs*(pw.dedrs*DD + pw.zk*dDDdrs);
r->dfdz = Bs*(pw.dedz *DD + pw.zk*dDDdz);
r->dfdxt = pw.zk*(dBs*DD + Bs*dDDdxt);
r->dfdxs[0] = 0.0;
r->dfdxs[1] = 0.0;
if(r->order < 2) return;
d2Bs = -dBs/(ss*aux) * xconv * (1.0 - alpha + sigma*(1.0 + alpha)*ssalpha);
if(p->info->number == XC_GGA_C_REVTCA){
d2sinc = (arg == 0.0) ? -1.0/3.0 : -(2.0*arg*COS(arg) + (arg*arg - 2.0)*SIN(arg))/(arg*arg*arg);
d2argdrs2 = -2.0*dargdrs/r->rs;
d2argdrsxt = -dargdxt/r->rs;
d2DDdrs2 = 2.0*zeta4*((dsinc*dsinc + sinc*d2sinc)*dargdrs*dargdrs + sinc*dsinc*d2argdrs2);
d2DDdrsz = 8.0*r->zeta*zeta2*sinc*dsinc*dargdrs;
d2DDdrsxt = 2.0*zeta4*((dsinc*dsinc + sinc*d2sinc)*dargdrs*dargdxt + sinc*dsinc*d2argdrsxt);
d2DDdz2 = -12.0*zeta2*(1.0 - sinc*sinc);
d2DDdzxt = 8.0*r->zeta*zeta2*sinc*dsinc*dargdxt;
d2DDdxt2 = 2.0*zeta4*((dsinc*dsinc + sinc*d2sinc)*dargdxt*dargdxt);
}else{
d2DDdrs2 = 0.0;
d2DDdrsz = 0.0;
d2DDdrsxt = 0.0;
d2DDdz2 = 0.0;
d2DDdzxt = 0.0;
d2DDdxt2 = 0.0;
}
r->d2fdrs2 = Bs*(pw.d2edrs2*DD + 2.0*pw.dedrs*dDDdrs + pw.zk*d2DDdrs2);
r->d2fdrsz = Bs*(pw.d2edrsz*DD + pw.dedrs*dDDdz + pw.dedz*dDDdrs + pw.zk*d2DDdrsz);
r->d2fdrsxt = pw.dedrs*(dBs*DD + Bs*dDDdxt) + pw.zk*(dBs*dDDdrs + Bs*d2DDdrsxt);
r->d2fdrsxs[0] = 0.0;
r->d2fdrsxs[1] = 0.0;
r->d2fdz2 = Bs*(pw.d2edz2*DD + 2.0*pw.dedz*dDDdz + pw.zk*d2DDdz2);
r->d2fdzxt = pw.dedz*(dBs*DD + Bs*dDDdxt) + pw.zk*(dBs*dDDdz + Bs*d2DDdzxt);
r->d2fdzxs[0] = 0.0;
r->d2fdzxs[1] = 0.0;
r->d2fdxt2 = pw.zk*(d2Bs*DD + 2.0*dBs*dDDdxt + Bs*d2DDdxt2);
r->d2fdxtxs[0] = 0.0;
r->d2fdxtxs[1] = 0.0;
r->d2fdxs2[0] = 0.0;
r->d2fdxs2[1] = 0.0;
r->d2fdxs2[2] = 0.0;
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_tca) = {
XC_GGA_C_TCA,
XC_CORRELATION,
"Tognetti, Cortona, Adamo",
XC_FAMILY_GGA,
"V Tognetti, P Cortona, and C Adamo, J. Chem. Phys. 128, 034101 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_c_tca_init,
NULL,
NULL,
work_gga_c,
NULL
};
const XC(func_info_type) XC(func_info_gga_c_revtca) = {
XC_GGA_C_REVTCA,
XC_CORRELATION,
"Tognetti, Cortona, Adamo (revised)",
XC_FAMILY_GGA,
"V Tognetti, P Cortona, and C Adamo, Chem. Phys. Lett. 460, 536-539 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_c_tca_init,
NULL,
NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/gga_x_rpbe.c 0000664 0001750 0001750 00000005117 12471363260 012600 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_RPBE 117 /* Hammer, Hansen & Norskov (PBE-like) */
typedef struct{
FLOAT kappa, mu;
} gga_x_rpbe_params;
static void
gga_x_rpbe_init(XC(func_type) *p)
{
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(gga_x_rpbe_params));
/* same parameters as standard PBE */
XC(gga_x_rpbe_set_params)(p, 0.8040, 0.2195149727645171);
}
void
XC(gga_x_rpbe_set_params)(XC(func_type) *p, FLOAT kappa, FLOAT mu)
{
gga_x_rpbe_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_rpbe_params *) (p->params);
params->kappa = kappa;
params->mu = mu;
}
/* RPBE: see PBE for more details */
void XC(gga_x_rpbe_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT kappa, mu, f0, df0, d2f0, d3f0;
assert(p->params != NULL);
kappa = ((gga_x_rpbe_params *) (p->params))->kappa;
mu = ((gga_x_rpbe_params *) (p->params))->mu*X2S*X2S;
f0 = EXP(-mu*x*x/kappa);
*f = 1.0 + kappa*(1.0 - f0);
if(order < 1) return;
df0 = -2.0*x*mu/kappa*f0;
*dfdx = -kappa*df0;
if(order < 2) return;
d2f0 = -2.0*mu*f0*(kappa - 2.0*x*x*mu)/(kappa*kappa);
*d2fdx2 = -kappa*d2f0;
if(order < 3) return;
d3f0 = 4.0*mu*mu*f0*x*(3.0*kappa - 2.0*mu*x*x)/(kappa*kappa*kappa);
*d3fdx3 = -kappa*d3f0;
}
#define func XC(gga_x_rpbe_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_rpbe) = {
XC_GGA_X_RPBE,
XC_EXCHANGE,
"Hammer, Hansen, and Nørskov",
XC_FAMILY_GGA,
"B Hammer, LB Hansen and JK Nørskov, Phys. Rev. B 59, 7413 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_rpbe_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/mgga_x_tpss.c 0000664 0001750 0001750 00000025171 12471363260 013020 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
/************************************************************************
Implements Perdew, Tao, Staroverov & Scuseria
meta-Generalized Gradient Approximation.
Exchange part
************************************************************************/
#define XC_MGGA_X_TPSS 202 /* Perdew, Tao, Staroverov & Scuseria exchange */
#define XC_MGGA_X_MODTPSS 245 /* Modified Perdew, Tao, Staroverov & Scuseria exchange */
#define XC_MGGA_X_REVTPSS 212 /* revised Perdew, Tao, Staroverov & Scuseria exchange */
#define XC_MGGA_X_BLOC 244 /* functional with balanced localization */
typedef struct{
int func;
FLOAT b, c, e, kappa, mu;
} mgga_x_tpss_params;
static void
mgga_x_tpss_init(XC(func_type) *p)
{
mgga_x_tpss_params *params;
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(mgga_x_tpss_params));
params = (mgga_x_tpss_params *)p->params;
/* value of beta in standard Becke 88 functional */
switch(p->info->number){
case XC_MGGA_X_TPSS:
params->func = p->func = 0;
XC(mgga_x_tpss_set_params)(p, 0.40, 1.59096, 1.537, 0.804, 0.21951);
break;
case XC_MGGA_X_MODTPSS:
params->func = p->func = 0; /* this has exactly the same form as TPSS */
XC(mgga_x_tpss_set_params)(p, 0.40, 1.39660, 1.38, 0.804, 0.250);
break;
case XC_MGGA_X_REVTPSS:
params->func = p->func = 1;
XC(mgga_x_tpss_set_params)(p, 0.40, 2.35203946, 2.16769874, 0.804, 0.14);
break;
case XC_MGGA_X_BLOC:
params->func = p->func = 2;
XC(mgga_x_tpss_set_params)(p, 0.40, 1.59096, 1.537, 0.804, 0.21951);
break;
default:
fprintf(stderr, "Internal error in mgga_x_tpss\n");
exit(1);
}
}
void
XC(mgga_x_tpss_set_params)(XC(func_type) *p, FLOAT b, FLOAT c, FLOAT e, FLOAT kappa, FLOAT mu)
{
mgga_x_tpss_params *params;
assert(p != NULL && p->params != NULL);
params = (mgga_x_tpss_params *) (p->params);
params->b = b;
params->c = c;
params->e = e;
params->kappa = kappa;
params->mu = mu;
}
/* This is Equation (7) from the paper and its derivatives */
static void
x_tpss_7(mgga_x_tpss_params *params, int order, FLOAT p, FLOAT z,
FLOAT *qb, FLOAT *dqbdp, FLOAT *dqbdz, FLOAT *d2qbdp2, FLOAT *d2qbdpz, FLOAT *d2qbdz2)
{
FLOAT a1, a2, a2_3, a2_5, h1, h2;
FLOAT alpha, dalphadp, dalphadz, dqbdalpha;
FLOAT d2alphadpz, d2alphadz2, dqb2dalpha2;
/* Eq. (8) */
a1 = (1.0 - z)/z;
h1 = 5.0/3.0;
alpha = h1*a1*p;
/* Eq. (7) */
a2 = SQRT(1.0 + params->b*alpha*(alpha - 1.0));
h2 = 9.0/20.0;
*qb = h2*(alpha - 1.0)/a2 + 2.0*p/3.0;
if(order < 1) return; /* And now the derivatives */
/* Eq. (8) */
dalphadp = h1*a1;
dalphadz = -h1*p/(z*z);
a2_3 = a2*a2*a2;
dqbdalpha = h2*(1.0 + 0.5*params->b*(alpha - 1.0))/a2_3;
*dqbdp = dqbdalpha*dalphadp + 2.0/3.0;
*dqbdz = dqbdalpha*dalphadz;
if(order < 2) return;
/* Eq. (8) */
d2alphadpz = -h1/(z*z);
d2alphadz2 = -2.0*dalphadz/z;
a2_5 = a2*a2*a2_3;
dqb2dalpha2 = -h2*params->b/(4.0*a2_5)*
(-8.0 + 3.0*params->b + 12.0*alpha - 7.0*alpha*params->b + 4*alpha*alpha*params->b);
*d2qbdp2 = dqb2dalpha2*dalphadp*dalphadp;
*d2qbdpz = dqb2dalpha2*dalphadp*dalphadz + dqbdalpha*d2alphadpz;
*d2qbdz2 = dqb2dalpha2*dalphadz*dalphadz + dqbdalpha*d2alphadz2;
}
/* Equation (10) in all its glory */
static
void x_tpss_10(mgga_x_tpss_params *params, int order, FLOAT p, FLOAT z,
FLOAT *x, FLOAT *dxdp, FLOAT *dxdz, FLOAT *d2xdp2, FLOAT *d2xdpz, FLOAT *d2xdz2)
{
static FLOAT BLOC_a = 4.0, BLOC_b = -3.3;
FLOAT x1, dxdp1, dxdz1, d2xdp1, d2xdpz1, d2xdz1, zlogz, ff, dff, zff;
FLOAT aux1, aux2, z2, p2;
FLOAT qb, dqbdp, dqbdz, d2qbdp2, d2qbdpz, d2qbdz2;
FLOAT a1, a1_2, a2, a3, h3, a4, a5, a6, d1, d1_2;
/* Equation 7 */
dqbdp = dqbdz = 0.0;
x_tpss_7(params, order, p, z, &qb, &dqbdp, &dqbdz, &d2qbdp2, &d2qbdpz, &d2qbdz2);
z2 = z*z;
p2 = p*p;
aux1 = 10.0/81.0;
aux2 = 9.0/25.0;
/* first we handle the numerator */
x1 = 0.0;
a1 = 1.0 + z2; /* first term */
a1_2 = a1*a1;
switch(params->func){
case 0: /* TPSS */
ff = 2.0; break;
case 1: /* revTPSS */
ff = 3.0; break;
case 2: /* BLOC */
ff = BLOC_a + BLOC_b * z;
break;
}
zff = POW(z, ff);
x1 += (aux1 + params->c*zff/a1_2)*p;
a2 = 146.0/2025.0; /* second term */
x1 += a2*qb*qb;
a3 = SQRT(0.5*(aux2*z2 + p2)); /* third term */
h3 = -73.0/405;
x1 += h3*qb*a3;
a4 = aux1*aux1/params->kappa; /* fourth term */
x1 += a4*p2;
a5 = 2.0*SQRT(params->e)*aux1*aux2; /* fifth term */
x1 += a5*z2;
a6 = params->e*params->mu; /* sixth term */
x1 += a6*p*p2;
d1 = 1.0 + SQRT(params->e)*p; /* denominator */
d1_2 = d1*d1;
*x = x1/d1_2;
if(order < 1) return; /* the derivatives */
dxdp1 = dxdz1 = 0.0;
dff = (params->func != 2) ? 0.0 : BLOC_b;
zlogz = z*LOG(z)*dff;
dxdp1 += aux1 + params->c*zff/a1_2; /* first term */
dxdz1 += params->c*p*zff*(zlogz*a1 + a1*ff - 4.0*z2)/(z*a1*a1_2);
dxdp1 += 2.0*a2*qb*dqbdp; /* second term */
dxdz1 += 2.0*a2*qb*dqbdz;
dxdp1 += h3*(a3*dqbdp + 0.5*qb*p/a3); /* third term */
dxdz1 += h3*(a3*dqbdz + 0.5*qb*aux2*z/a3);
dxdp1 += a4*2.0*p; /* fourth term */
dxdz1 += a5*2.0*z; /* fifth term */
dxdp1 += a6*3.0*p2; /* sixth term */
*dxdp = (dxdp1*d1 - 2.0*SQRT(params->e)*x1)/(d1*d1_2); /* denominator */
*dxdz = dxdz1/d1_2;
if(order < 2) return;
d2xdp1 = d2xdz1 = d2xdpz1 = 0.0;
d2xdpz1+= params->c*zff*(zlogz*a1 + a1*ff - 4.0*z2)/(z*a1*a1_2);
d2xdz1 += params->c*p*zff/(a1_2*a1_2) *
(24.0*z2 - 4.0*a1*(2.0*zlogz + 2.0*ff + 1.0) + a1_2/z2 * (2.0*dff*z - ff + (zlogz + ff)*(zlogz + ff)));
d2xdp1 += 2.0*a2*(dqbdp*dqbdp + qb*d2qbdp2); /* second term */
d2xdpz1+= 2.0*a2*(dqbdp*dqbdz + qb*d2qbdpz);
d2xdz1 += 2.0*a2*(dqbdz*dqbdz + qb*d2qbdz2);
/* third term */
d2xdp1 += h3*( aux2*z2*qb + (p2 + aux2*z2)*(2.0*p*dqbdp + (p2 + aux2*z2)*d2qbdp2))/(4.0*a3*a3*a3);
d2xdpz1+= h3*(-aux2*p*z*qb + (p2 + aux2*z2)*(aux2*z*dqbdp + p*dqbdz + (p2 + aux2*z2)*d2qbdpz))/(4.0*a3*a3*a3);
d2xdz1 += h3*( aux2*p2*qb + (p2 + aux2*z2)*(2.0*aux2*z*dqbdz + (p2 + aux2*z2)*d2qbdz2))/(4.0*a3*a3*a3);
d2xdp1 += a4*2.0; /* fourth term */
d2xdz1 += a5*2.0; /* fifth term */
d2xdp1 += a6*6.0*p; /* sixth term */
*d2xdp2 = (6.0*params->e*x1 + d1*(-4.0*SQRT(params->e)*dxdp1 + d1*d2xdp1))/(d1_2*d1_2);
*d2xdpz = (d2xdpz1*d1 - 2.0*SQRT(params->e)*dxdz1)/(d1*d1_2);
*d2xdz2 = d2xdz1/d1_2;
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
FLOAT ss, pp, xx, a1, a1_2, zz;
FLOAT dxxdp, dxxdz, d2xxdp2, d2xxdpz, d2xxdz2;
FLOAT dpdx, dzdx, dzdt, d2pdx2, d2zdx2, d2zdxt, d2zdt2;
mgga_x_tpss_params *params;
params = (mgga_x_tpss_params *)pt->params;
ss = X2S*r->x;
pp = ss*ss;
zz = r->x*r->x/(8.0*r->t);
/* Eq. 10 */
x_tpss_10(params, r->order, pp, zz, &xx, &dxxdp, &dxxdz, &d2xxdp2, &d2xxdpz, &d2xxdz2);
/* Eq. (5) */
a1 = params->kappa/(params->kappa + xx);
a1_2 = a1*a1;
r->f = 1.0 + params->kappa*(1.0 - a1);
if(r->order < 1) return;
dpdx = 2.0*ss*X2S;
dzdx = r->x/(4.0*r->t);
dzdt = -zz/r->t;
r->dfdx = a1_2*(dxxdp*dpdx + dxxdz*dzdx);
r->dfdt = a1_2*dxxdz*dzdt;
r->dfdu = 0.0;
if(r->order < 2) return;
d2pdx2 = 2.0*X2S*X2S;
d2zdx2 = 1.0/(4.0*r->t);
d2zdxt = -dzdx/r->t;
d2zdt2 = -2.0*dzdt/r->t;
r->d2fdx2 = -2.0*(r->dfdx)*(r->dfdx)/(params->kappa*a1) +
a1_2*(d2xxdp2*dpdx*dpdx + 2.0*d2xxdpz*dpdx*dzdx + dxxdp*d2pdx2 + d2xxdz2*dzdx*dzdx + dxxdz*d2zdx2);
r->d2fdt2 = -2.0*(r->dfdt)*(r->dfdt)/(params->kappa*a1) +
a1_2*(d2xxdz2*dzdt*dzdt + dxxdz*d2zdt2);
r->d2fdxt = -2.0*a1*(r->dfdx)*dxxdz*dzdt/params->kappa +
a1_2*(d2xxdpz*dpdx*dzdt + d2xxdz2*dzdx*dzdt + dxxdz*d2zdxt);
}
#include "work_mgga_x.c"
XC(func_info_type) XC(func_info_mgga_x_tpss) = {
XC_MGGA_X_TPSS,
XC_EXCHANGE,
"Tao, Perdew, Staroverov & Scuseria",
XC_FAMILY_MGGA,
"J Tao, JP Perdew, VN Staroverov, and G Scuseria, Phys. Rev. Lett. 91, 146401 (2003)\n"
"JP Perdew, J Tao, VN Staroverov, and G Scuseria, J. Chem. Phys. 120, 6898 (2004)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_tpss_init,
NULL, NULL, NULL,
work_mgga_x,
};
XC(func_info_type) XC(func_info_mgga_x_modtpss) = {
XC_MGGA_X_MODTPSS,
XC_EXCHANGE,
"Modified Tao, Perdew, Staroverov & Scuseria",
XC_FAMILY_MGGA,
"JP Perdew, A Ruzsinszky, J Tao, GI Csonka, and GE Scuseria, Phys. Rev. A 76, 042506 (2007)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_tpss_init,
NULL, NULL, NULL,
work_mgga_x,
};
XC(func_info_type) XC(func_info_mgga_x_revtpss) = {
XC_MGGA_X_REVTPSS,
XC_EXCHANGE,
"revised Tao, Perdew, Staroverov & Scuseria",
XC_FAMILY_MGGA,
"JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, and J Sun, Phys. Rev. Lett. 103, 026403 (2009)\n"
"JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, and J Sun, Phys. Rev. Lett. 106, 179902(E) (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_tpss_init,
NULL, NULL, NULL,
work_mgga_x,
};
XC(func_info_type) XC(func_info_mgga_x_bloc) = {
XC_MGGA_X_BLOC,
XC_EXCHANGE,
"functional with balanced localization",
XC_FAMILY_MGGA,
"LA Constantin, E Fabiano, F Della Sala, J. Chem. Theory Comput. 9, 2256 (2013)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_tpss_init,
NULL, NULL, NULL,
work_mgga_x,
};
libxc-2.1.2/src/hyb_gga_xc_hse.c 0000664 0001750 0001750 00000015442 12471363260 013436 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_HYB_GGA_XC_HSE03 427 /* the 2003 version of the screened hybrid HSE */
#define XC_HYB_GGA_XC_HSE06 428 /* the 2006 version of the screened hybrid HSE */
#define XC_HYB_GGA_XC_HJS_PBE 429 /* HJS hybrid screened exchange PBE version */
#define XC_HYB_GGA_XC_HJS_PBE_SOL 430 /* HJS hybrid screened exchange PBE_SOL version */
#define XC_HYB_GGA_XC_HJS_B88 431 /* HJS hybrid screened exchange B88 version */
#define XC_HYB_GGA_XC_HJS_B97X 432 /* HJS hybrid screened exchange B97x version */
static void
hyb_gga_xc_hse_init(XC(func_type) *p)
{
static int funcs_id [3] = {XC_GGA_X_WPBEH, XC_GGA_X_WPBEH, XC_GGA_C_PBE};
static FLOAT funcs_coef[3] = {1.0, -0.25, 1.0};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
/* Note that there is an enormous mess in the literature concerning
the values of omega in HSE. This is due to an error in the
original paper that stated that they had used omega=0.15. This
was in fact not true, and the real value used was omega^HF =
0.15/sqrt(2) ~ 0.1061 and omega^PBE = 0.15*cbrt(2) ~ 0.1890. In
2006 Krukau et al [JCP 125, 224106 (2006)] tried to clarify the
situation, and called HSE03 to the above choice of parameters,
and called HSE06 to the functional where omega^HF=omega^PBE. By
testing several properties for atoms they reached the conclusion
that the best value for omega=0.11.
Of course, codes are just as messy as the papers. In espresso
HSE06 has the value omega=0.106. VASP, on the other hand, uses
for HSE03 the same value omega^HF = omega^PBE = 0.3 (A^-1) ~
0.1587 and for HSE06 omega^HF = omega^PBE = 0.2 (A^-1) ~ 0.1058.
We try to follow the original definition of the functional. The
default omega for XC_GGA_X_WPBEH is zero, so WPBEh reduces to
PBEh
*/
switch(p->info->number){
case XC_HYB_GGA_XC_HSE03:
/* in this case one should use omega^HF = 0.15/sqrt(2) and
omega^PBE = 0.15*CBRT(2.0)*/
p->cam_omega = 0.15/M_SQRT2;
XC(hyb_gga_xc_hse_set_params)(p, 0.25, 0.15*CBRT(2.0));
break;
case XC_HYB_GGA_XC_HSE06:
/* in this case one should use omega^HF = omega^PBE = 0.11 */
p->cam_omega = 0.11;
XC(hyb_gga_xc_hse_set_params)(p, 0.25, 0.11);
break;
default:
fprintf(stderr, "Internal error in hyb_gga_xc_hse\n");
exit(1);
}
}
void
XC(hyb_gga_xc_hse_set_params)(XC(func_type) *p, FLOAT beta, FLOAT omega)
{
assert(p != NULL && p->func_aux[1] != NULL);
assert(beta>=0.0 && beta<=1.0);
p->cam_beta = beta;
p->mix_coef[1] = -beta;
XC(gga_x_wpbeh_set_params)(p->func_aux[1], omega);
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_hse03) = {
XC_HYB_GGA_XC_HSE03,
XC_EXCHANGE_CORRELATION,
"HSE03",
XC_FAMILY_HYB_GGA,
"J Heyd, GE Scuseria, and M Ernzerhof, J. Chem. Phys. 118, 8207 (2003)\n"
"J Heyd, GE Scuseria, and M Ernzerhof, J. Chem. Phys. 124, 219906 (2006)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_hse_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_hse06) = {
XC_HYB_GGA_XC_HSE06,
XC_EXCHANGE_CORRELATION,
"HSE06",
XC_FAMILY_HYB_GGA,
"J Heyd, GE Scuseria, and M Ernzerhof, J. Chem. Phys. 118, 8207 (2003)\n"
"J Heyd, GE Scuseria, and M Ernzerhof, J. Chem. Phys. 124, 219906 (2006)\n"
"AV Krukau, OA Vydrov, AF Izmaylov, and GE Scuseria, J. Chem. Phys. 125, 224106 (2006)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_hse_init,
NULL, NULL, NULL, NULL
};
static void
hyb_gga_xc_hjs_init(XC(func_type) *p)
{
static int funcs_id [3] = {-1, -1, XC_GGA_C_PBE};
static FLOAT funcs_coef[3] = {1.0, -0.25, 1.0};
p->cam_omega = 0.11;
p->cam_beta = 0.25;
switch(p->info->number){
case XC_HYB_GGA_XC_HJS_PBE:
funcs_id[0] = funcs_id[1] = XC_GGA_X_HJS_PBE;
break;
case XC_HYB_GGA_XC_HJS_PBE_SOL:
funcs_id[0] = funcs_id[1] = XC_GGA_X_HJS_PBE_SOL;
break;
case XC_HYB_GGA_XC_HJS_B88:
funcs_id[0] = funcs_id[1] = XC_GGA_X_HJS_B88;
break;
case XC_HYB_GGA_XC_HJS_B97X:
funcs_id[0] = funcs_id[1] = XC_GGA_X_HJS_B97X;
break;
default:
fprintf(stderr, "Internal error in hyb_gga_xc_hjs\n");
exit(1);
}
XC(mix_init)(p, 3, funcs_id, funcs_coef);
XC(gga_x_hjs_set_params)(p->func_aux[1], p->cam_omega);
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_hjs_pbe) = {
XC_HYB_GGA_XC_HJS_PBE,
XC_EXCHANGE_CORRELATION,
"HJS hybrid screened exchange PBE version",
XC_FAMILY_HYB_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_hjs_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_hjs_pbe_sol) = {
XC_HYB_GGA_XC_HJS_PBE_SOL,
XC_EXCHANGE_CORRELATION,
"HJS hybrid screened exchange PBE_SOL version",
XC_FAMILY_HYB_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_hjs_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_hjs_b88) = {
XC_HYB_GGA_XC_HJS_B88,
XC_EXCHANGE_CORRELATION,
"HJS hybrid screened exchange B88 version",
XC_FAMILY_HYB_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_hjs_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_hjs_b97x) = {
XC_HYB_GGA_XC_HJS_B97X,
XC_EXCHANGE_CORRELATION,
"HJS hybrid screened exchange B97x version",
XC_FAMILY_HYB_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_hjs_init,
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/mgga_c_cs.c 0000664 0001750 0001750 00000005562 12471363260 012411 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_C_CS 72 /* Colle and Salvetti */
static void
func(const XC(func_type) *pt, XC(mgga_work_c_t) *r)
{
static FLOAT a = -0.04918, b = 0.132, c = 0.2533, d = 0.349;
FLOAT cnst_rs, cnst_283, opz, omz, opz13, omz13, opz23, omz23;
FLOAT ta, tb, tw, aux, ff, num, den;
FLOAT dtwdz, dtwdxt, dtwdus0, dtwdus1, dauxdrs;
FLOAT dnumdrs, dnumdz, dnumdxt, dnumdts0, dnumdts1, dnumdus0, dnumdus1, ddendrs;
cnst_rs = CBRT(4*M_PI/3.0);
cnst_283 = 1.0/(4.0*M_CBRT2*M_CBRT2);
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
opz13 = CBRT(opz); opz23 = opz13*opz13;
omz13 = CBRT(omz); omz23 = omz13*omz13;
ta = r->ts[0] - r->us[0]/8.0;
tb = r->ts[1] - r->us[1]/8.0;
tw = r->xt*r->xt/8.0 - cnst_283*(r->us[0]*opz*opz23 + r->us[1]*omz*omz23);
aux = EXP(-c*cnst_rs*r->rs);
ff = opz*ta + omz*tb - tw;
num = 1.0 + 2.0*b*ff*aux;
den = 1.0 + d*cnst_rs*r->rs;
r->f = a*num/den;
if(r->order < 1) return;
dtwdz = -cnst_283*(5.0/3.0)*(r->us[0]*opz23 - r->us[1]*omz23);
dtwdxt = r->xt/4.0;
dtwdus0 = -cnst_283*opz*opz23;
dtwdus1 = -cnst_283*omz*omz23;
dauxdrs = -c*cnst_rs*aux;
dnumdrs = 2.0*b*ff*dauxdrs;
dnumdz = 2.0*b*(ta - tb - dtwdz)*aux;
dnumdxt = -2.0*b*dtwdxt*aux;
dnumdts0 = 2.0*b*opz*aux;
dnumdts1 = 2.0*b*omz*aux;
dnumdus0 = 2.0*b*(-opz/8.0 - dtwdus0)*aux;
dnumdus1 = 2.0*b*(-omz/8.0 - dtwdus1)*aux;
ddendrs = d*cnst_rs;
r->dfdrs = a*(dnumdrs*den - num*ddendrs)/(den*den);
r->dfdz = a*dnumdz/den;
r->dfdxt = a*dnumdxt/den;
r->dfdxs[0] = 0.0;
r->dfdxs[1] = 0.0;
r->dfdts[0] = a*dnumdts0/den;
r->dfdts[1] = a*dnumdts1/den;
r->dfdus[0] = a*dnumdus0/den;
r->dfdus[1] = a*dnumdus1/den;
if(r->order < 2) return;
}
#include "work_mgga_c.c"
XC(func_info_type) XC(func_info_mgga_c_cs) = {
XC_MGGA_C_CS,
XC_CORRELATION,
"Colle and Salvetti",
XC_FAMILY_MGGA,
"Colle and Salvetti, Theor. Chim. Acta 37, 329 (1975)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
NULL,
NULL, NULL, NULL,
work_mgga_c,
};
libxc-2.1.2/src/lda_c_pz.c 0000664 0001750 0001750 00000015346 12471363260 012263 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
/************************************************************************
Correlation energy per particle and potential of a HEG as parametrized
by
Perdew & Zunger
Ortiz & Ballone
************************************************************************/
#define XC_LDA_C_PZ 9 /* Perdew & Zunger */
#define XC_LDA_C_PZ_MOD 10 /* Perdew & Zunger (Modified) */
#define XC_LDA_C_OB_PZ 11 /* Ortiz & Ballone (PZ) */
typedef struct {
FLOAT gamma[2];
FLOAT beta1[2];
FLOAT beta2[2];
FLOAT a[2], b[2], c[2], d[2];
} pz_consts_type;
static pz_consts_type
pz_consts[3] = {
{ /* PZ Original */
{-0.1423, -0.0843}, /* gamma */
{ 1.0529, 1.3981}, /* beta1 */
{ 0.3334, 0.2611}, /* beta2 */
{ 0.0311, 0.01555}, /* a */
{-0.048, -0.0269}, /* b */
{ 0.0020, 0.0007}, /* c */
{-0.0116, -0.0048} /* d */
}, { /* PZ Modified */
{-0.1423, -0.0843},
{ 1.0529, 1.3981},
{ 0.3334, 0.2611},
{ 0.0311, 0.01555},
{-0.048, -0.0269},
{ 0.0020191519406228, 0.00069255121311694},
{-0.0116320663789130, -0.00480126353790614}
}, { /* OB */
{-0.103756, -0.065951},
{ 0.56371, 1.11846},
{ 0.27358, 0.18797},
{ 0.031091, 0.015545},
{-0.046644, -0.025599},
{ 0.00419, 0.00329}, /* the sign of c[0] and c[1] is different from [2], but is consistent
with the continuity requirement. There is nothing in [3] about this. */
{-0.00983, -0.00300}
}
};
/* Auxiliary functions to handle parametrizations */
static void
ec_pot_low(pz_consts_type *X, int order, int i, FLOAT *rs,
FLOAT *zk, FLOAT *dedrs, FLOAT *d2edrs2, FLOAT *d3edrs3)
{
FLOAT f1, f12, beta12, beta22;
/* Eq. C3 */
f1 = 1.0 + X->beta1[i]*rs[0] + X->beta2[i]*rs[1];
*zk = X->gamma[i]/f1;
if(order < 1) return;
*dedrs = -X->gamma[i];
*dedrs *= X->beta1[i]/(2.0*rs[0]) + X->beta2[i];
*dedrs /= f1*f1;
if(order < 2) return;
f12 = f1*f1;
beta12 = X->beta1[i]*X->beta1[i];
beta22 = X->beta2[i]*X->beta2[i];
*d2edrs2 = X->gamma[i];
*d2edrs2 *= X->beta1[i] + 3.0*beta12*rs[0] +
9.0*X->beta1[i]*X->beta2[i]*rs[1] + 8.0*beta22*rs[0]*rs[1];
*d2edrs2 /= 4.0*rs[0]*rs[1]*f12*f1;
if(order < 3) return;
*d3edrs3 = -3.0*X->gamma[i];
*d3edrs3 *= 5.0*beta12*X->beta1[i]*rs[1] + 16.0*beta22*X->beta2[i]*rs[0]*rs[2]
+ 4.0*beta12*rs[0]*(1.0 + 5.0*X->beta2[i]*rs[1])
+ X->beta1[i]*(1.0 + X->beta2[i]*rs[1]*(6.0 + 29.0*X->beta2[i]*rs[1]));
*d3edrs3 /= 8.0*rs[0]*rs[2]*f12*f12;
}
static void
ec_pot_high(pz_consts_type *X, int order, int i, FLOAT *rs,
FLOAT *zk, FLOAT *dedrs, FLOAT *d2edrs2, FLOAT *d3edrs3)
{
FLOAT lrs = LOG(rs[1]);
/* Eq. [1].C5 */
*zk = X->a[i]*lrs + X->b[i] + X->c[i]*rs[1]*lrs + X->d[i]*rs[1];
if(order < 1) return;
*dedrs = X->a[i]/rs[1] + (X->c[i] + X->d[i]) + X->c[i]*lrs;
if(order < 2) return;
*d2edrs2 = -X->a[i]/rs[2] + X->c[i]/rs[1];
if(order < 3) return;
*d3edrs3 = 2.0*X->a[i]/(rs[1]*rs[2]) - X->c[i]/rs[2];
}
/* the functional */
void
XC(lda_c_pz_func)(const XC(func_type) *p, XC(lda_work_t) *r)
{
int func;
FLOAT ecp, vcp, fcp, kcp;
FLOAT ecf, vcf, fcf, kcf;
FLOAT fz, dfz, d2fz, d3fz;
func= p->info->number - XC_LDA_C_PZ;
assert(func==0 || func==1 || func==2);
if(r->rs[1] >= 1.0)
ec_pot_low (&pz_consts[func], r->order, 0, r->rs, &ecp, &vcp, &fcp, &kcp);
else
ec_pot_high(&pz_consts[func], r->order, 0, r->rs, &ecp, &vcp, &fcp, &kcp);
if(p->nspin == XC_UNPOLARIZED)
r->zk = ecp;
else{
fz = FZETA(r->zeta);
/* get ferromagnetic values */
if(r->rs[1] >= 1.0)
ec_pot_low (&pz_consts[func], r->order, 1, r->rs, &ecf, &vcf, &fcf, &kcf);
else
ec_pot_high(&pz_consts[func], r->order, 1, r->rs, &ecf, &vcf, &fcf, &kcf);
r->zk = ecp + (ecf - ecp)*fz;
}
if(r->order < 1) return;
if(p->nspin == XC_UNPOLARIZED)
r->dedrs = vcp;
else{
dfz = DFZETA(r->zeta);
r->dedrs = vcp + (vcf - vcp)*fz;
r->dedz = (ecf - ecp)*dfz;
}
if(r->order < 2) return;
if(p->nspin == XC_UNPOLARIZED)
r->d2edrs2 = fcp;
else{
d2fz = D2FZETA(r->zeta);
r->d2edrs2 = fcp + (fcf - fcp)*fz;
r->d2edrsz = (vcf - vcp)*dfz;
r->d2edz2 = (ecf - ecp)*d2fz;
}
if(r->order < 3) return;
if(p->nspin == XC_UNPOLARIZED)
r->d3edrs3 = kcp;
else{
d3fz = D3FZETA(r->zeta);
r->d3edrs3 = kcp + (kcf - kcp)*fz;
r->d3edrs2z = (fcf - fcp)*dfz;
r->d3edrsz2 = (vcf - vcp)*d2fz;
r->d3edz3 = (ecf - ecp)*d3fz;
}
}
#define func XC(lda_c_pz_func)
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_pz) = {
XC_LDA_C_PZ,
XC_CORRELATION,
"Perdew & Zunger",
XC_FAMILY_LDA,
"Perdew and Zunger, Phys. Rev. B 23, 5048 (1981)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_pz_mod) = {
XC_LDA_C_PZ_MOD,
XC_CORRELATION,
"Perdew & Zunger (Modified)",
XC_FAMILY_LDA,
"Perdew and Zunger, Phys. Rev. B 23, 5048 (1981)\n"
"Modified to improve the matching between the low- and high-rs parts",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_ob_pz) = {
XC_LDA_C_OB_PZ,
XC_CORRELATION,
"Ortiz & Ballone (PZ parametrization)",
XC_FAMILY_LDA,
"G Ortiz and P Ballone, Phys. Rev. B 50, 1391 (1994)\n"
"G Ortiz and P Ballone, Phys. Rev. B 56, 9970(E) (1997)\n"
"Perdew and Zunger, Phys. Rev. B 23, 5048 (1981)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/gga.c 0000664 0001750 0001750 00000017134 12471363260 011243 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include
#include "util.h"
#include "funcs_gga.c"
#include "funcs_hyb_gga.c"
/* initialization */
int XC(gga_init)(XC(func_type) *func, const XC(func_info_type) *info, int nspin)
{
assert(func != NULL);
/* initialize structure */
func->info = info;
func->nspin = nspin;
func->params = NULL;
func->func = 0;
func->n_func_aux = 0;
func->func_aux = NULL;
func->mix_coef = NULL;
func->cam_omega = func->cam_alpha = func->cam_beta = 0.0;
/* initialize spin counters */
func->n_zk = 1;
func->n_rho = func->n_vrho = func->nspin;
if(func->nspin == XC_UNPOLARIZED){
func->n_sigma = func->n_vsigma = 1;
func->n_v2rho2 = func->n_v2rhosigma = func->n_v2sigma2 = 1;
func->n_v3rho3 = func->n_v3rho2sigma = func->n_v3rhosigma2 = func->n_v3sigma3 = 1;
}else{
func->n_sigma = func->n_vsigma = 3;
func->n_v2rho2 = 3;
func->n_v2rhosigma = func->n_v2sigma2 = 6;
func->n_v3rho3 = 4;
func->n_v3rho2sigma = 9;
func->n_v3rhosigma2 = 12;
func->n_v3sigma3 = 10;
}
/* see if we need to initialize the functional */
if(func->info->init != NULL)
func->info->init(func);
return 0;
}
/* Termination */
void XC(gga_end)(XC(func_type) *func)
{
assert(func != NULL);
/* call internal termination routine */
if(func->info->end != NULL)
func->info->end(func);
/* terminate any auxiliary functional */
if(func->n_func_aux > 0){
int ii;
for(ii=0; iin_func_aux; ii++){
XC(func_end)(func->func_aux[ii]);
free(func->func_aux[ii]);
}
free(func->func_aux);
func->n_func_aux = 0;
}
if(func->mix_coef != NULL){
free(func->mix_coef);
func->mix_coef = NULL;
}
/* deallocate any used parameter */
if(func->params != NULL){
free(func->params);
func->params = NULL;
}
}
/* Some useful formulas:
sigma_st = grad rho_s . grad rho_t
zk = energy density per unit particle
vrho_s = d zk / d rho_s
vsigma_st = d n*zk / d sigma_st
v2rho2_st = d^2 n*zk / d rho_s d rho_t
v2rhosigma_svx = d^2 n*zk / d rho_s d sigma_tv
v2sigma2_stvx = d^2 n*zk / d sigma_st d sigma_vx
v3rho3_stv = d^3 n*zk / d rho_s d rho_t d rho_v
v3rho2sigma_stvx = d^3 n*zk / d rho_s d rho_t d sigma_vx
v3rhosigma2_svxyz = d^3 n*zk / d rho_s d sigma_vx d sigma_yz
v3sigma3_stvxyz = d^3 n*zk / d sigma_st d sigma_vx d sigma_yz
if nspin == 2
rho(2) = (u, d)
sigma(3) = (uu, ud, dd)
vrho(2) = (u, d)
vsigma(3) = (uu, ud, dd)
v2rho2(3) = (u_u, u_d, d_d)
v2rhosigma(6) = (u_uu, u_ud, u_dd, d_uu, d_ud, d_dd)
v2sigma2(6) = (uu_uu, uu_ud, uu_dd, ud_ud, ud_dd, dd_dd)
v3rho3(4) = (u_u_u, u_u_d, u_d_d, d_d_d)
v3rho2sigma(9) = (u_u_uu, u_u_ud, u_u_dd, u_d_uu, u_d_ud, u_d_dd, d_d_uu, d_d_ud, d_d_dd)
v3rhosigma2(12) = (u_uu_uu, u_uu_ud, u_uu_dd, u_ud_ud, u_ud_dd, u_dd_dd, d_uu_uu, d_uu_ud, d_uu_dd, d_ud_ud, d_ud_dd, d_dd_dd)
v3sigma(10) = (uu_uu_uu, uu_uu_ud, uu_uu_dd, uu_ud_ud, uu_ud_dd, uu_dd_dd, ud_ud_ud, ud_ud_dd, ud_dd_dd, dd_dd_dd)
*/
void XC(gga)(const XC(func_type) *func, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma,
FLOAT *v2rho2, FLOAT *v2rhosigma, FLOAT *v2sigma2,
FLOAT *v3rho3, FLOAT *v3rho2sigma, FLOAT *v3rhosigma2, FLOAT *v3sigma3)
{
assert(func != NULL);
/* sanity check */
if(zk != NULL && !(func->info->flags & XC_FLAGS_HAVE_EXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of Exc",
func->info->name);
exit(1);
}
if(vrho != NULL && !(func->info->flags & XC_FLAGS_HAVE_VXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of vxc",
func->info->name);
exit(1);
}
if(v2rho2 != NULL && !(func->info->flags & XC_FLAGS_HAVE_FXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of fxc",
func->info->name);
exit(1);
}
if(v3rho3 != NULL && !(func->info->flags & XC_FLAGS_HAVE_KXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of kxc",
func->info->name);
exit(1);
}
/* initialize output to zero */
if(zk != NULL)
memset(zk, 0, func->n_zk*np*sizeof(FLOAT));
if(vrho != NULL){
assert(vsigma != NULL);
memset(vrho, 0, func->n_vrho *np*sizeof(FLOAT));
memset(vsigma, 0, func->n_vsigma*np*sizeof(FLOAT));
}
if(v2rho2 != NULL){
assert(v2rhosigma!=NULL && v2sigma2!=NULL);
memset(v2rho2, 0, func->n_v2rho2 *np*sizeof(FLOAT));
memset(v2rhosigma, 0, func->n_v2rhosigma*np*sizeof(FLOAT));
memset(v2sigma2, 0, func->n_v2sigma2 *np*sizeof(FLOAT));
}
if(v3rho3 != NULL){
assert(v3rho2sigma!=NULL && v3rhosigma2!=NULL && v3sigma3!=NULL);
memset(v3rho3, 0, func->n_v3rho3 *np*sizeof(FLOAT));
memset(v3rho2sigma, 0, func->n_v3rho2sigma*np*sizeof(FLOAT));
memset(v3rhosigma2, 0, func->n_v3rhosigma2*np*sizeof(FLOAT));
memset(v3sigma3, 0, func->n_v3sigma3 *np*sizeof(FLOAT));
}
/* call functional */
if(func->info->gga != NULL)
func->info->gga(func, np, rho, sigma, zk, vrho, vsigma,
v2rho2, v2rhosigma, v2sigma2,
v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3);
if(func->mix_coef != NULL)
XC(mix_func)(func, np, rho, sigma, NULL, NULL, zk, vrho, vsigma, NULL, NULL,
v2rho2, v2sigma2, NULL, NULL, v2rhosigma, NULL, NULL, NULL, NULL, NULL);
}
/* specializations */
/* returns only energy */
inline void
XC(gga_exc)(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *zk)
{
XC(gga)(p, np, rho, sigma, zk, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
/* returns only potential */
inline void
XC(gga_vxc)(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *vrho, FLOAT *vsigma)
{
XC(gga)(p, np, rho, sigma, NULL, vrho, vsigma, NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
/* returns both energy and potential (the most common call usually) */
inline void
XC(gga_exc_vxc)(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma)
{
XC(gga)(p, np, rho, sigma, zk, vrho, vsigma, NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
/* returns second derivatives */
inline void
XC(gga_fxc)(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *v2rho2, FLOAT *v2rhosigma, FLOAT *v2sigma2)
{
XC(gga)(p, np, rho, sigma, NULL, NULL, NULL, v2rho2, v2rhosigma, v2sigma2, NULL, NULL, NULL, NULL);
}
/* returns third derivatives */
inline void
XC(gga_kxc)(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *v3rho3, FLOAT *v3rho2sigma, FLOAT *v3rhosigma2, FLOAT *v3sigma3)
{
XC(gga)(p, np, rho, sigma, NULL, NULL, NULL, NULL, NULL, NULL, v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3);
}
libxc-2.1.2/src/mgga_x_tau_hcth.c 0000664 0001750 0001750 00000005222 12471363260 013621 0000000 0000000 /*
Copyright (C) 2008 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_TAU_HCTH 205 /* tau-HCTH from Boese and Handy */
/* Eq. (22) */
static void
eq_22(int order, FLOAT t, FLOAT *fx, FLOAT *dfxdt)
{
FLOAT CFermi = (3.0/5.0) * POW(6.0*M_PI*M_PI, 2.0/3.0);
FLOAT w, w2;
w = (CFermi - t)/(CFermi + t);
w2 = w*w;
*fx = w*(1.0 - 2.0*w2 + w2*w2);
if(order < 1) return;
*dfxdt = 1.0 - 6.0*w2 + 5.0*w2*w2;
*dfxdt *= -2.0*CFermi/((CFermi + t)*(CFermi + t));
}
static void
eq_29(int order, FLOAT x, FLOAT *ux, FLOAT *duxdx)
{
static FLOAT gamX = 0.004;
FLOAT x2, denom;
x2 = x*x;
denom = 1.0 + gamX*x2;
*ux = gamX*x2/denom;
if(order < 1) return;
*duxdx = 2.0*gamX*x/(denom*denom);
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
const FLOAT cx_local [4] = {1.10734, -1.0534, 6.3491, -2.5531};
const FLOAT cx_nlocal[4] = {0.00110, -0.3041, 6.9543, -0.7235};
FLOAT ux, ux2, gxl, gxnl, fx;
FLOAT duxdx, dgxldu, dgxnldu, dfxdt;
eq_29(r->order, r->x, &ux, &duxdx);
eq_22(r->order, 2.0*r->t, &fx, &dfxdt);
ux2 = ux*ux;
gxl = cx_local [0] + ux*(cx_local [1] + cx_local [2]*ux + cx_local [3]*ux2);
gxnl = cx_nlocal[0] + ux*(cx_nlocal[1] + cx_nlocal[2]*ux + cx_nlocal[3]*ux2);
r->f = gxl + gxnl*fx;
if(r->order < 1) return;
dgxldu = cx_local [1] + 2.0*cx_local [2]*ux + 3.0*cx_local [3]*ux2;
dgxnldu = cx_nlocal[1] + 2.0*cx_nlocal[2]*ux + 3.0*cx_nlocal[3]*ux2;
r->dfdx = (dgxldu + dgxnldu*fx)*duxdx;
r->dfdt = 2.0*gxnl*dfxdt;
}
#include "work_mgga_x.c"
const XC(func_info_type) XC(func_info_mgga_x_tau_hcth) = {
XC_MGGA_X_TAU_HCTH,
XC_EXCHANGE,
"tau-HCTH",
XC_FAMILY_MGGA,
"AD Boese and NC Handy, JCP 116, 9559 (2002)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
NULL, NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
libxc-2.1.2/src/string_f.h 0000664 0001750 0001750 00000006305 12471363260 012323 0000000 0000000 /*
Copyright (C) 2003 M. Marques, A. Castro, A. Rubio, G. Bertsch
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 2, or (at your option)
any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
02110-1301, USA.
$Id: string_f.h 3341 2007-10-12 15:47:30Z marques $
*/
/* --------------------- Fortran to C string compatibility ---------------------- */
#include
#if defined(_CRAY)
#include
#define to_c_str(f, c) { \
char *fc; int slen; \
fc = _fcdtocp(f); \
for(slen=_fcdlen(f)-1; slen>=0 && fc[slen]==' '; slen--); \
slen++; \
c = (char *)malloc(slen+1); \
strncpy(c, _fcdtocp(f), slen); \
c[slen] = '\0'; \
}
#define to_f_str(c, f) { \
char *fc; int flen, clen, i; \
flen = _fcdlen(f); \
fc = _fcdtocp(f); \
clen = strlen(c); \
for(i=0; i=0; ll--) \
if(f[ll] != ' ') break; \
ll++; \
c = (char *)malloc((ll+1)*sizeof(char)); \
for(i=0; i
#include
#include
#include "util.h"
/************************************************************************
Correlation functional by Pittalis, Rasanen & Marques for the 2D electron gas
************************************************************************/
/* TODO: convert this to an (rs, zeta) expression */
#define XC_LDA_C_2D_PRM 16 /* Pittalis, Rasanen & Marques correlation in 2D */
typedef struct{
FLOAT N;
FLOAT c;
} lda_c_prm_params;
/* parameters necessary to the calculation */
static FLOAT prm_q = 3.9274; /* 2.258 */
/* Initialization */
static void
lda_c_2d_prm_init(XC(func_type) *p)
{
lda_c_prm_params *params;
assert(p != NULL && p->params == NULL);
p->params = malloc(sizeof(lda_c_prm_params));
params = (lda_c_prm_params *) (p->params);
params->N = 2.0; /* Random values. This should be set by the caller */
params->c = 0.0;
}
void
XC(lda_c_2d_prm_set_params)(XC(func_type) *p, FLOAT N)
{
lda_c_prm_params *params;
assert(p != NULL && p->params != NULL);
params = (lda_c_prm_params *) (p->params);
if(N <= 1){
fprintf(stderr, "PRM functional can not be used for N_electrons <= 1\n");
exit(1);
}
params->N = N;
params->c = M_PI/(2.0*(N - 1.0)*prm_q*prm_q); /* Eq. (13) */
}
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
lda_c_prm_params *params;
FLOAT beta, phi, c;
FLOAT t1, t2, t3, dt1dbeta, dt1dphi, dt3dphi, dbetadrs, dphidrs;
assert(p->params != NULL);
params = (lda_c_prm_params *) (p->params);
assert(params->N > 1.0);
beta = prm_q/(M_SQRTPI*r->rs[1]); /* Eq. (4) */
c = params->c;
phi = beta/(beta + M_SQRTPI/2.0);
t3 = phi - 1.0; /* original version has (phi-1)^2 */
t2 = M_PI/(2.0*prm_q*prm_q);
t1 = M_SQRTPI*beta*t3/(2.0*SQRT(2.0 + c));
t1 += phi*(phi - 1.0)/(2.0 + c);
t1 += M_SQRTPI*phi*phi/(4.0*beta*POW(2.0 + c, 1.5));
t1 += M_SQRTPI*beta*(phi - 1.0)/SQRT(1.0 + c);
t1 += phi/(1.0 + c);
t1 *= t2;
r->zk = t1;
if(r->order < 1) return;
dt1dbeta = M_SQRTPI*t3/(2.0*SQRT(2.0 + c));
dt1dbeta -= M_SQRTPI*phi*phi/(4.0*beta*beta*POW(2.0 + c, 1.5));
dt1dbeta += M_SQRTPI*(phi - 1.0)/SQRT(1.0 + c);
dt1dbeta *= t2;
dt3dphi = 1.0;
dt1dphi = M_SQRTPI*beta/(2.0*SQRT(2.0 + c))*dt3dphi;
dt1dphi += (2.0*phi - 1.0)/(2.0 + c);
dt1dphi += M_SQRTPI*2.0*phi/(4.0*beta*POW(2.0 + c, 1.5));
dt1dphi += M_SQRTPI*beta/SQRT(1.0 + c);
dt1dphi += 1.0/(1.0 + c);
dt1dphi *= t2;
dbetadrs = -prm_q/(M_SQRTPI*r->rs[2]);
dphidrs = M_SQRTPI/(2.0*(beta + M_SQRTPI/2.0)*(beta + M_SQRTPI/2.0));
dphidrs *= dbetadrs;
r->dedrs = dt1dbeta*dbetadrs + dt1dphi*dphidrs;
r->dedz = 0.0; /* no spin for the moment */
if(r->order < 2) return;
}
#define XC_DIMENSIONS 2
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_2d_prm) = {
XC_LDA_C_2D_PRM,
XC_CORRELATION,
"PRM (for 2D systems)",
XC_FAMILY_LDA,
"S Pittalis, E Rasanen, and MAL Marques, Phys. Rev. B 78, 195322 (2008)",
XC_FLAGS_2D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 0.0, 0.0, 1e-32,
lda_c_2d_prm_init,
NULL,
work_lda,
NULL,
NULL
};
libxc-2.1.2/src/gga_c_q2d.c 0000664 0001750 0001750 00000013740 12471363260 012312 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include
#include "util.h"
#define XC_GGA_C_Q2D 47 /* Chiodo et al */
static void gga_c_q2d_init(XC(func_type) *p)
{
p->n_func_aux = 2;
p->func_aux = (XC(func_type) **) malloc(2*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
p->func_aux[1] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_LDA_C_2D_AMGB, p->nspin);
XC(func_init)(p->func_aux[1], XC_GGA_C_PBE, p->nspin);
}
inline void
XC(gga_c_q2d_func) (const XC(func_type) *p, XC(gga_work_c_t) *r)
{
const FLOAT rs2D_factor = 1.704, dd = 1e6;
FLOAT rs2D, phi, tconv, auxp, auxm, t, t2, t4, t6, num, den, fac;
FLOAT drs2Ddrs, drs2Ddxt, d2rs2Ddrsxt, d2rs2Ddxt2;
FLOAT dphidz, dtdrs, dtdxt, dtdphi, dtdz, dnumdt, ddendt, dfacdt;
FLOAT d2phidz2, d2tdrs2, d2tdrsxt, d2tdphi2, d2tdrsphi, d2tdxtphi, d2tdz2, d2tdrsz, d2tdzxt, d2numdt2, d2dendt2, d2facdt2;
XC(lda_work_t) ldaw;
XC(gga_work_c_t) ggaw;
/* we start by getting the 2D LDA */
rs2D = rs2D_factor*r->rs*SQRT(X2S*r->xt)/RS_FACTOR;
ldaw.order = r->order;
ldaw.rs[0] = SQRT(rs2D);
ldaw.rs[1] = rs2D;
ldaw.rs[2] = rs2D*rs2D;
ldaw.zeta = r->zeta;
XC(lda_c_2d_amgb_func)(p->func_aux[0], &ldaw);
/* now we get the PBE */
memcpy(&ggaw, r, sizeof(XC(gga_work_c_t)));
XC(gga_c_pbe_func)(p->func_aux[1], &ggaw);
/* now comes the interpolation between them */
tconv = 4.0*M_CBRT2;
auxp = CBRT(1.0 + r->zeta);
auxm = CBRT(1.0 - r->zeta);
phi = 0.5*(auxp*auxp + auxm*auxm);
t = r->xt/(tconv*phi*SQRT(r->rs));
t2 = t*t;
t4 = t2*t2;
t6 = t4*t2;
num = t4*(1.0 + t2);
den = dd + t6;
fac = num/den;
r->f = ggaw.f + fac*(-ggaw.f + ldaw.zk);
if(r->order < 1) return;
drs2Ddrs = rs2D/r->rs;
drs2Ddxt = rs2D/(2.0*r->xt);
dphidz = 0.0;
if(auxp > p->info->min_zeta) dphidz += 1/auxp;
if(auxm > p->info->min_zeta) dphidz -= 1/auxm;
dphidz *= 1.0/3.0;
dtdrs = -t/(2.0*r->rs);
dtdxt = t/r->xt;
dtdphi = -t/phi;
dtdz = dtdphi*dphidz;
dnumdt = t*t2*(4.0 + 6.0*t2);
ddendt = 6.0*t*t4;
dfacdt = DFRACTION(num, dnumdt, den, ddendt);
r->dfdrs = ggaw.dfdrs + fac*(-ggaw.dfdrs + ldaw.dedrs*drs2Ddrs) + dfacdt*dtdrs*(-ggaw.f + ldaw.zk);
r->dfdz = ggaw.dfdz + fac*(-ggaw.dfdz + ldaw.dedz) + dfacdt*dtdz*(-ggaw.f + ldaw.zk);
r->dfdxt = ggaw.dfdxt + fac*(-ggaw.dfdxt + ldaw.dedrs*drs2Ddxt) + dfacdt*dtdxt*(-ggaw.f + ldaw.zk);
r->dfdxs[0] = (1.0 - fac)*ggaw.dfdxs[0];
r->dfdxs[1] = (1.0 - fac)*ggaw.dfdxs[1];
if(r->order < 2) return;
d2rs2Ddrsxt = drs2Ddxt/r->rs;
d2rs2Ddxt2 = -drs2Ddxt/(2.0*r->xt);
d2phidz2 = 0.0;
if(auxp > p->info->min_zeta) d2phidz2 += 1.0/((1.0 + r->zeta)*auxp);
if(auxm > p->info->min_zeta) d2phidz2 += 1.0/((1.0 - r->zeta)*auxm);
d2phidz2 *= -1.0/9.0;
d2tdrs2 = -3.0*dtdrs/(2.0*r->rs);
d2tdrsxt = dtdrs/r->xt;
d2tdphi2 = -2.0*dtdphi/phi;
d2tdrsphi = -dtdrs/phi;
d2tdxtphi = dtdphi/r->xt;
d2tdz2 = d2tdphi2*dphidz*dphidz + dtdphi*d2phidz2;
d2tdrsz = d2tdrsphi*dphidz;
d2tdzxt = d2tdxtphi*dphidz;
d2numdt2 = t2*(12.0 + 30.0*t2);
d2dendt2 = 30.0*t4;
d2facdt2 = D2FRACTION(num, dnumdt, d2numdt2, den, ddendt, d2dendt2);
r->d2fdrs2 = ggaw.d2fdrs2 + fac*(-ggaw.d2fdrs2 + ldaw.d2edrs2*drs2Ddrs*drs2Ddrs) +
2.0*dfacdt*dtdrs*(-ggaw.dfdrs + ldaw.dedrs*drs2Ddrs) + (d2facdt2*dtdrs*dtdrs + dfacdt*d2tdrs2)*(-ggaw.f + ldaw.zk);
r->d2fdrsz = ggaw.d2fdrsz + fac*(-ggaw.d2fdrsz + ldaw.d2edrsz*drs2Ddrs) +
dfacdt*dtdrs*(-ggaw.dfdz + ldaw.dedz) + dfacdt*dtdz*(-ggaw.dfdrs + ldaw.dedrs*drs2Ddrs) +
(d2facdt2*dtdrs*dtdz + dfacdt*d2tdrsz)*(-ggaw.f + ldaw.zk);
r->d2fdrsxt = ggaw.d2fdrsxt + fac*(-ggaw.d2fdrsxt + ldaw.d2edrs2*drs2Ddrs*drs2Ddxt + ldaw.dedrs*d2rs2Ddrsxt) +
dfacdt*dtdrs*(-ggaw.dfdxt + ldaw.dedrs*drs2Ddxt) + dfacdt*dtdxt*(-ggaw.dfdrs + ldaw.dedrs*drs2Ddrs) +
(d2facdt2*dtdrs*dtdxt + dfacdt*d2tdrsxt)*(-ggaw.f + ldaw.zk);
r->d2fdrsxs[0] = 0.0;
r->d2fdrsxs[1] = 0.0;
r->d2fdz2 = ggaw.d2fdz2 + fac*(-ggaw.d2fdz2 + ldaw.d2edz2) +
2.0*dfacdt*dtdz*(-ggaw.dfdz + ldaw.dedz) + (d2facdt2*dtdz*dtdz + dfacdt*d2tdz2)*(-ggaw.f + ldaw.zk);
r->d2fdzxt = ggaw.d2fdzxt + fac*(-ggaw.d2fdzxt + ldaw.d2edrsz*drs2Ddxt) +
dfacdt*dtdxt*(-ggaw.dfdz + ldaw.dedz) + dfacdt*dtdz*(-ggaw.dfdxt + ldaw.dedrs*drs2Ddxt) +
(d2facdt2*dtdxt*dtdz + dfacdt*d2tdzxt)*(-ggaw.f + ldaw.zk);
r->d2fdzxs[0] = 0.0;
r->d2fdzxs[1] = 0.0;
r->d2fdxt2 = ggaw.d2fdxt2 + fac*(-ggaw.d2fdxt2 + ldaw.d2edrs2*drs2Ddxt*drs2Ddxt + ldaw.dedrs*d2rs2Ddxt2) +
2.0*dfacdt*dtdxt*(-ggaw.dfdxt + ldaw.dedrs*drs2Ddxt) + d2facdt2*dtdxt*dtdxt*(-ggaw.f + ldaw.zk);
r->d2fdxtxs[0] = 0.0;
r->d2fdxtxs[1] = 0.0;
r->d2fdxs2[0] = 0.0;
r->d2fdxs2[1] = 0.0;
r->d2fdxs2[2] = 0.0;
}
#define func XC(gga_c_q2d_func)
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_q2d) = {
XC_GGA_C_Q2D,
XC_CORRELATION,
"Chiodo et al",
XC_FAMILY_GGA,
"L Chiodo, LA Constantin, E Fabiano, and F Della Sala, Phys. Rev. Lett. 108, 126402 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-23, 0.0, 1e-32,
gga_c_q2d_init,
NULL, NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/mgga_x_br89.c 0000664 0001750 0001750 00000017637 12471363260 012623 0000000 0000000 /*
Copyright (C) 2006-2009 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_BR89 206 /* Becke-Roussel 89 */
#define XC_MGGA_X_BJ06 207 /* Becke & Johnson correction to Becke-Roussel 89 */
#define XC_MGGA_X_TB09 208 /* Tran & Blaha correction to Becke & Johnson */
#define XC_MGGA_X_RPP09 209 /* Rasanen, Pittalis, and Proetto correction to Becke & Johnson */
typedef struct{
FLOAT c;
} mgga_x_tb09_params;
static FLOAT br89_gamma = 0.8;
static void
mgga_x_tb09_init(XC(func_type) *p)
{
assert(p->params == NULL);
switch(p->info->number){
case XC_MGGA_X_BR89: p->func = 0; break;
case XC_MGGA_X_BJ06: p->func = 1; break;
case XC_MGGA_X_TB09: p->func = 2; break;
case XC_MGGA_X_RPP09: p->func = 3; break;
}
p->params = malloc(sizeof(mgga_x_tb09_params));
/* value of c in Becke-Johnson */
XC(mgga_x_tb09_set_params)(p, 1.0);
}
void XC(mgga_x_tb09_set_params)(XC(func_type) *p, FLOAT c)
{
mgga_x_tb09_params *params;
assert(p != NULL && p->params != NULL);
params = (mgga_x_tb09_params *) (p->params);
params->c = c;
}
/* This code follows the inversion done in the PINY_MD package */
static FLOAT
br_newt_raph(FLOAT a, FLOAT tol, FLOAT * res, int *ierr)
{
int count;
FLOAT x, f;
static int max_iter = 50;
*ierr = 1;
if(a == 0.0)
return 0.0;
/* starting point */
x = (a < 0.0) ? -1.0 : 1.0;
count = 0;
do {
FLOAT arg, eee, xm2, fp;
xm2 = x - 2.0;
arg = 2.0*x/3.0;
eee = EXP(-arg)/a;
f = x*eee - xm2;
fp = eee*(1.0 - 2.0/3.0*x) - 1.0;
x -= f/fp;
x = ABS(x);
count ++;
*res = ABS(f);
} while((*res > tol) && (count < max_iter));
if(count == max_iter) *ierr=0;
return x;
}
static FLOAT
br_bisect(FLOAT a, FLOAT tol, int *ierr) {
int count;
FLOAT f, x, x1, x2;
static int max_iter = 500;
*ierr = 1;
if(a == 0.0)
return 0.0;
/* starting interval */
if(a > 0.0) {
x1 = 2.0 + tol;
x2 = 1.0/a + 2.0;
}else{
x2 = 2.0 - tol;
x1 = 0.0;
}
/* bisection */
count = 0;
do{
FLOAT arg, eee, xm2;
x = 0.5*(x1 + x2);
xm2 = x - 2.0;
arg = 2.0*x/3.0;
eee = EXP(-arg);
f = x*eee - a*xm2;
if(f > 0.0) x1 = x;
if(f < 0.0) x2 = x;
count++;
}while((ABS(f) > tol) && (count < max_iter));
if(count == max_iter) *ierr=0;
return x;
}
FLOAT XC(mgga_x_br89_get_x)(FLOAT Q)
{
FLOAT rhs, br_x, tol, res;
int ierr;
#ifdef SINGLE_PRECISION
tol = 1e-6;
#else
tol = 5e-12;
#endif
/* build right-hand side of the non-linear equation
Remember we use a different definition of tau */
rhs = 2.0/3.0*POW(M_PI, 2.0/3.0)/Q;
br_x = br_newt_raph(rhs, tol, &res, &ierr);
if(ierr == 0){
br_x = br_bisect(rhs, tol, &ierr);
if(ierr == 0){
fprintf(stderr,
"Warning: Convergence not reached in Becke-Roussel functional\n"
"For rhs = %e (residual = %e)\n", rhs, res);
}
}
return br_x;
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
FLOAT Q, br_x, v_BR, dv_BRdbx, d2v_BRdbx2, dxdQ, d2xdQ2, ff, dffdx, d2ffdx2;
FLOAT cnst, c_TB09, c_HEG, exp1, exp2;
Q = (r->u - 4.0*br89_gamma*r->t + 0.5*br89_gamma*r->x*r->x)/6.0;
if(ABS(Q) < MIN_DENS) Q = (Q < 0) ? -MIN_DENS : MIN_DENS;
br_x = XC(mgga_x_br89_get_x)(Q);
cnst = -2.0*CBRT(M_PI)/X_FACTOR_C;
exp1 = EXP(br_x/3.0);
exp2 = EXP(-br_x);
v_BR = (ABS(br_x) > pt->info->min_tau) ?
exp1*(1.0 - exp2*(1.0 + br_x/2.0))/br_x :
1.0/2.0 + br_x/6.0 - br_x*br_x/18.0;
v_BR *= cnst;
if(pt->func == 0){ /* XC_MGGA_X_BR89 */
/* we have also to include the factor 1/2 from Eq. (9) */
r->f = - v_BR / 2.0;
}else{ /* XC_MGGA_X_BJ06 & XC_MGGA_X_TB09 */
r->f = 0.0;
}
if(r->order < 1) return;
if(pt->func == 0 || r->order > 1){
dv_BRdbx = (ABS(br_x) > pt->info->min_tau) ?
(3.0 + br_x*(br_x + 2.0) + (br_x - 3.0)/exp2) / (3.0*exp1*exp1*br_x*br_x) :
1.0/6.0 - br_x/9.0;
dv_BRdbx *= cnst;
ff = br_x*EXP(-2.0/3.0*br_x)/(br_x - 2);
dffdx = ff*(-2.0/3.0 + 1.0/br_x - 1.0/(br_x - 2.0));
dxdQ = -ff/(Q*dffdx);
}
if(pt->func == 0){ /* XC_MGGA_X_BR89 */
r->dfdx = -r->x*br89_gamma*dv_BRdbx*dxdQ/12.0;
r->dfdt = 4.0*br89_gamma*dv_BRdbx*dxdQ/12.0;
r->dfdu = -dv_BRdbx*dxdQ/12.0;
}else{
assert(pt->params != NULL);
c_TB09 = ((mgga_x_tb09_params *) (pt->params))->c;
r->dfdrs = -c_TB09*v_BR;
c_HEG = (3.0*c_TB09 - 2.0)*SQRT(5.0/12.0)/(X_FACTOR_C*M_PI);
if(pt->func == 1 || pt->func == 2) /* XC_MGGA_X_BJ0 & XC_MGGA_X_TB09 */
r->dfdrs -= c_HEG*SQRT(2.0*r->t);
else /* XC_MGGA_X_RPP09 */
r->dfdrs -= c_HEG*SQRT(max(2.0*r->t - r->x*r->x/4.0, 0.0));
r->dfdrs /= -r->rs; /* due to the definition of dfdrs */
}
if(r->order < 2) return;
if(pt->func == 0 || r->order > 2){
d2v_BRdbx2 = (ABS(br_x) > pt->info->min_tau) ?
((18.0 + (br_x - 6.0)*br_x)/exp2 - 2.0*(9.0 + br_x*(6.0 + br_x*(br_x + 2.0))))
/ (9.0*exp1*exp1*br_x*br_x*br_x) :
-1.0/9.0;
d2v_BRdbx2 *= cnst;
d2ffdx2 = dffdx*dffdx/ff + ff*(-1.0/(br_x*br_x) + 1.0/((br_x - 2.0)*(br_x - 2.0)));
d2xdQ2 = -(2.0*dxdQ/Q + d2ffdx2*dxdQ*dxdQ/dffdx);
}
if(pt->func == 0){ /* XC_MGGA_X_BR89 */
FLOAT aux1 = d2v_BRdbx2*dxdQ*dxdQ + dv_BRdbx*d2xdQ2;
r->d2fdx2 = -(aux1*br89_gamma*r->x*r->x/6.0 + dv_BRdbx*dxdQ)*br89_gamma/12.0;
r->d2fdxt = aux1*br89_gamma*br89_gamma*r->x/18.0;
r->d2fdxu = -aux1*br89_gamma*r->x/72.0;
r->d2fdt2 = -aux1*2.0*br89_gamma*br89_gamma/9.0;
r->d2fdtu = aux1*br89_gamma/18.0;
r->d2fdu2 = -aux1/72.0;
}else{
}
}
#include "work_mgga_x.c"
const XC(func_info_type) XC(func_info_mgga_x_br89) = {
XC_MGGA_X_BR89,
XC_EXCHANGE,
"Becke-Roussel 89",
XC_FAMILY_MGGA,
"AD Becke and MR Roussel, Phys. Rev. A 39, 3761 (1989)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
NULL, NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
const XC(func_info_type) XC(func_info_mgga_x_bj06) = {
XC_MGGA_X_BJ06,
XC_EXCHANGE,
"Becke & Johnson 06",
XC_FAMILY_MGGA,
"AD Becke and ER Johnson, J. Chem. Phys. 124, 221101 (2006)",
XC_FLAGS_3D | XC_FLAGS_HAVE_VXC,
1e-22, 1e-32, 1e-22, 1e-22,
mgga_x_tb09_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
const XC(func_info_type) XC(func_info_mgga_x_tb09) = {
XC_MGGA_X_TB09,
XC_EXCHANGE,
"Tran & Blaha 09",
XC_FAMILY_MGGA,
"F Tran and P Blaha, Phys. Rev. Lett. 102, 226401 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
mgga_x_tb09_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
const XC(func_info_type) XC(func_info_mgga_x_rpp09) = {
XC_MGGA_X_RPP09,
XC_EXCHANGE,
"Rasanen, Pittalis & Proetto 09",
XC_FAMILY_MGGA,
"E Rasanen, S Pittalis & C Proetto, J. Chem. Phys. 132, 044112 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_VXC,
1e-22, 1e-22, 1e-22, 1e-22,
mgga_x_tb09_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
libxc-2.1.2/src/lda_c_pw.c 0000664 0001750 0001750 00000022517 12471363260 012256 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
/************************************************************************
Correlation energy per-particle and potential of a HEG as parameterized
by
J.P. Perdew & Y. Wang
Ortiz & Ballone
Note that the PW modified corresponds to the version of PW used in the
original PBE routine. This amounts to adding some more digits in some of
the constants of PW.
************************************************************************/
#define XC_LDA_C_PW 12 /* Perdew & Wang */
#define XC_LDA_C_PW_MOD 13 /* Perdew & Wang (Modified) */
#define XC_LDA_C_OB_PW 14 /* Ortiz & Ballone (PW) */
#define XC_LDA_C_PW_RPA 25 /* Perdew & Wang fit of the RPA */
static void
lda_c_pw_init(XC(func_type) *p)
{
switch(p->info->number){
case XC_LDA_C_PW: p->func = 0; break;
case XC_LDA_C_PW_MOD: p->func = 1; break;
case XC_LDA_C_OB_PW: p->func = 2; break;
case XC_LDA_C_PW_RPA: p->func = 3; break;
default:
fprintf(stderr, "Internal error in lda_c_pw\n");
exit(1);
}
}
/* Function g defined by Eq. 10 of the original paper,
and its derivative with respect to rs, Eq. A5 */
static void g(int func, int order, int k, FLOAT *rs,
FLOAT *f, FLOAT *dfdrs, FLOAT *d2fdrs2, FLOAT *d3fdrs3)
{
static FLOAT pp[4][3] =
{
{1.0, 1.0, 1.0}, /* PW */
{1.0, 1.0, 1.0}, /* PW (modified) */
{1.0, 1.0, 1.0}, /* OB */
{0.75, 0.75, 1.0} /* PW_RPA */
};
static FLOAT a[4][3] =
{
{0.031091, 0.015545, 0.016887}, /* PW */
{0.0310907, 0.01554535, 0.0168869}, /* PW (modified) */
{0.031091, 0.015545, 0.016887}, /* OB */
{0.031091, 0.015545, 0.016887} /* PW_RPA */
};
static FLOAT alpha[4][3] =
{
{0.21370, 0.20548, 0.11125}, /* PW */
{0.21370, 0.20548, 0.11125}, /* PW (modified) */
{0.026481, 0.022465, 0.11125}, /* OB */
{0.082477, 0.035374, 0.028829} /* PW_RPA */
};
static FLOAT beta[4][3][4] = {
{
{ 7.5957, 3.5876, 1.6382, 0.49294}, /* PW */
{14.1189, 6.1977, 3.3662, 0.62517},
{10.357, 3.6231, 0.88026, 0.49671}
},{
{ 7.5957, 3.5876, 1.6382, 0.49294}, /* PW (modified) */
{14.1189, 6.1977, 3.3662, 0.62517},
{10.357, 3.6231, 0.88026, 0.49671}
},{
{ 7.5957, 3.5876, -0.46647, 0.13354}, /* OB */
{14.1189, 6.1977, -0.56043, 0.11313},
{10.357, 3.6231, 0.88026, 0.49671}
},{
{ 5.1486, 1.6483, 0.23647, 0.20614}, /* PW_RPA */
{ 6.4869, 1.3083, 0.15180, 0.082349},
{10.357, 3.6231, 0.47990, 0.12279},
}};
FLOAT q0, dq0, q1, dq1, q2, d2q1, d3q1, aux1;
q0 = -2.0*a[func][k]*(1.0 + alpha[func][k]*rs[1]);
q1 = 2.0*a[func][k];
q1 *= beta[func][k][0]*rs[0] + beta[func][k][1]*rs[1] +
beta[func][k][2]*rs[0]*rs[1] + beta[func][k][3]*POW(rs[1], 1.0 + pp[func][k]);
q2 = LOG(1.0 + 1.0/q1);
/* the function */
*f = q0*q2;
if(order < 1) return; /* nothing else to do */
aux1 = q1*(1.0 + q1);
/* and now the derivative */
dq0 = -2.0*a[func][k]*alpha[func][k];
dq1 = a[func][k]*(beta[func][k][0]/rs[0] + 2.0*beta[func][k][1] +
3.0*beta[func][k][2]*rs[0] +
2.0*(1.0 + pp[func][k])*beta[func][k][3]*POW(rs[1], pp[func][k]));
*dfdrs = dq0*q2 - q0*dq1/aux1;
if(order < 2) return;
d2q1 = a[func][k]*(-beta[func][k][0]/(2.0*rs[0]*rs[1]) +
3.0*beta[func][k][2]/(2.0*rs[0]) +
2.0*(1.0 + pp[func][k])*pp[func][k]*beta[func][k][3]*POW(rs[1], pp[func][k] - 1.0));
*d2fdrs2 = 1.0/aux1*(-2*dq0*dq1 - q0*d2q1 + q0*(2.0*q1 + 1.0)*dq1*dq1/aux1);
if(order < 3) return;
d3q1 = (3.0/4.0)*a[func][k]*(beta[func][k][0]/(rs[0]*rs[2]) - beta[func][k][2]/(rs[0]*rs[1]));
if(pp[func][k] != 1.0)
d3q1 += a[func][k]*2.0*(1.0 + pp[func][k])*pp[func][k]*(pp[func][k] - 1.0)*beta[func][k][3]*POW(rs[1], pp[func][k] - 2.0);
*d3fdrs3 = 2.0*q0*(2.0 + 3.0*q1)*dq1*dq1*dq1;
*d3fdrs3 += -3.0*aux1*dq1*(dq0*dq1 + q0*d2q1);
*d3fdrs3 += (1.0 + q1)*(1.0 + q1)*
(-6.0*q0*dq1*dq1*dq1 + 6.0*q1*dq1*(dq0*dq1 + q0*d2q1)
-q1*q1*(3.0*dq0*d2q1 + q0*d3q1));
*d3fdrs3 /= aux1*aux1*aux1;
}
/* the functional */
void
XC(lda_c_pw_func)(const XC(func_type) *p, XC(lda_work_t) *r)
{
static FLOAT fz20[4] = {
1.709921, /* PW */
1.709920934161365617563962776245, /* PW (modified) */
1.709921, /* OB */
1.709921 /* PW_RPA */
};
FLOAT ecp, vcp, fcp, kcp;
FLOAT ecf, vcf, fcf, kcf;
FLOAT alpha, dalpha, d2alpha, d3alpha;
FLOAT z2, z3, z4, fz, dfz, d2fz, d3fz;
/* ec(rs, 0) */
g(p->func, r->order, 0, r->rs, &ecp, &vcp, &fcp, &kcp);
if(p->nspin == XC_UNPOLARIZED)
r->zk = ecp;
else{
/* get ferromagnetic values */
g(p->func, r->order, 1, r->rs, &ecf, &vcf, &fcf, &kcf);
/* get -alpha_c */
g(p->func, r->order, 2, r->rs, &alpha, &dalpha, &d2alpha, &d3alpha);
alpha *= -1.0;
fz = FZETA(r->zeta);
z2 = r->zeta*r->zeta;
z3 = r->zeta*z2;
z4 = r->zeta*z3;
r->zk = ecp + z4*fz*(ecf - ecp - alpha/fz20[p->func]) + fz*alpha/fz20[p->func];
}
if(r->order < 1) return;
if(p->nspin == XC_UNPOLARIZED){
r->dedrs = vcp;
r->dedz = 0.0;
}else{
dalpha *= -1.0;
dfz = DFZETA(r->zeta);
r->dedrs = vcp + z4*fz*(vcf - vcp - dalpha/fz20[p->func]) + fz*dalpha/fz20[p->func];
r->dedz = (4.0*z3*fz + z4*dfz)*(ecf - ecp - alpha/fz20[p->func])
+ dfz*alpha/fz20[p->func];
}
if(r->order < 2) return;
if(p->nspin == XC_UNPOLARIZED){
r->d2edrs2 = fcp;
r->d2edrsz = 0.0;
r->d2edz2 = 0.0;
}else{
d2alpha *= -1.0;
d2fz = D2FZETA(r->zeta);
r->d2edrs2 = fcp + z4*fz*(fcf - fcp - d2alpha/fz20[p->func]) + fz*d2alpha/fz20[p->func];
r->d2edrsz = (4.0*z3*fz + z4*dfz)*(vcf - vcp - dalpha/fz20[p->func])
+ dfz*dalpha/fz20[p->func];
r->d2edz2 = (12.0*z2*fz + 8.0*z3*dfz + z4*d2fz)*(ecf - ecp - alpha/fz20[p->func])
+ d2fz*alpha/fz20[p->func];
}
if(r->order < 3) return;
if(p->nspin == XC_UNPOLARIZED){
r->d3edrs3 = kcp;
r->d3edrs2z = 0.0;
r->d3edrsz2 = 0.0;
r->d3edz3 = 0.0;
}else{
d3alpha *= -1.0;
d3fz = D3FZETA(r->zeta);
r->d3edrs3 = kcp + z4*fz*(kcf - kcp - d3alpha/fz20[p->func]) + fz*d3alpha/fz20[p->func];
r->d3edrs2z = (4.0*z3*fz + z4*dfz)*(fcf - fcp - d2alpha/fz20[p->func])
+ dfz*d2alpha/fz20[p->func];
r->d3edrsz2 = (12.0*z2*fz + 8.0*z3*dfz + z4*d2fz)*(vcf - vcp - dalpha/fz20[p->func])
+ d2fz*dalpha/fz20[p->func];
r->d3edz3 = (24.0*r->zeta*fz + 36.0*z2*dfz + 12*z3*d2fz + z4*d3fz)*(ecf - ecp - alpha/fz20[p->func])
+ d3fz*alpha/fz20[p->func];
}
}
#define func XC(lda_c_pw_func)
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_pw) = {
XC_LDA_C_PW,
XC_CORRELATION,
"Perdew & Wang",
XC_FAMILY_LDA,
"JP Perdew and Y Wang, Phys. Rev. B 45, 13244 (1992)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-25, 0.0, 0.0, 1e-32,
lda_c_pw_init, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_pw_mod) = {
XC_LDA_C_PW_MOD,
XC_CORRELATION,
"Perdew & Wang (modified)",
XC_FAMILY_LDA,
"JP Perdew and Y Wang, Phys. Rev. B 45, 13244 (1992)\n"
"Added extra digits to some constants as in the PBE routine\n"
"http://dft.rutgers.edu/pubs/PBE.asc",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-26, 0.0, 0.0, 1e-32,
lda_c_pw_init, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_ob_pw) = {
XC_LDA_C_OB_PW,
XC_CORRELATION,
"Ortiz & Ballone (PW parametrization)",
XC_FAMILY_LDA,
"G Ortiz and P Ballone, Phys. Rev. B 50, 1391 (1994)\n"
"G Ortiz and P Ballone, Phys. Rev. B 56, 9970(E) (1997)\n"
"JP Perdew and Y Wang, Phys. Rev. B 45, 13244 (1992)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-26, 0.0, 0.0, 1e-32,
lda_c_pw_init, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_pw_rpa) = {
XC_LDA_C_PW_RPA,
XC_CORRELATION,
"Perdew & Wang (fit to the RPA energy)",
XC_FAMILY_LDA,
"JP Perdew and Y Wang, Phys. Rev. B 45, 13244 (1992)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-27, 0.0, 0.0, 1e-32,
lda_c_pw_init, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/gga_x_pw91.c 0000664 0001750 0001750 00000014315 12471363260 012450 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_PW91 109 /* Perdew & Wang 91 */
#define XC_GGA_X_MPW91 119 /* Modified form of PW91 by Adamo & Barone */
#define XC_GGA_K_LC94 521 /* Lembarki & Chermette */
typedef struct{
FLOAT a, b, c, d, f, alpha, expo;
} gga_x_pw91_params;
static void
gga_x_pw91_init(XC(func_type) *p)
{
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(gga_x_pw91_params));
switch(p->info->number){
case XC_GGA_X_PW91:
/* b_PW91 ~ 0.0042 */
XC(gga_x_pw91_set_params)(p, 0.19645, 7.7956, 0.2743, -0.1508, 0.004, 100.0, 4.0);
break;
case XC_GGA_X_MPW91:
/*
=== from nwchem source (xc_xmpw91.F) ===
C. Adamo confirmed that there is a typo in the JCP paper
b_mPW91 is 0.00426 instead of 0.0046
also the power seems to be 3.72 and not 3.73
*/
XC(gga_x_pw91_set_params2)(p, 0.00426, 100.0, 3.72);
break;
case XC_GGA_K_LC94:
XC(gga_x_pw91_set_params)(p, 0.093907, 76.320, 0.26608, -0.0809615, 0.000057767, 100.0, 4.0);
break;
default:
fprintf(stderr, "Internal error in gga_x_pw91\n");
exit(1);
}
}
void
XC(gga_x_pw91_set_params)(XC(func_type) *p, FLOAT a, FLOAT b, FLOAT c, FLOAT d, FLOAT f, FLOAT alpha, FLOAT expo)
{
gga_x_pw91_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_pw91_params *) (p->params);
params->a = a;
params->b = b;
params->c = c;
params->d = d;
params->f = f;
params->alpha = alpha;
params->expo = expo;
}
void
XC(gga_x_pw91_set_params2)(XC(func_type) *p, FLOAT bt, FLOAT alpha, FLOAT expo)
{
FLOAT beta;
FLOAT a, b, c, d, f;
beta = 5.0*POW(36.0*M_PI,-5.0/3.0);
a = 6.0*bt/X2S;
b = 1.0/X2S;
c = bt/(X_FACTOR_C*X2S*X2S);
d = -(bt - beta)/(X_FACTOR_C*X2S*X2S);
f = 1.0e-6/(X_FACTOR_C*POW(X2S, expo));
XC(gga_x_pw91_set_params)(p, a, b, c, d, f, alpha, expo);
}
void XC(gga_x_pw91_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
gga_x_pw91_params *params;
FLOAT ss, ss2, ss4, aux1, aux2;
FLOAT f1, df1, d2f1, d3f1, f2, df2, d2f2, d3f2, f3, df3, d2f3, d3f3, f4, df4, d2f4, d3f4;
assert(p != NULL && p->params != NULL);
params = (gga_x_pw91_params *) (p->params);
ss = X2S*x;
ss2 = ss*ss;
ss4 = POW(ss, params->expo);
f1 = params->d*EXP(-params->alpha*ss2);
f2 = params->a*ASINH(params->b*ss);
f3 = (params->c + f1)*ss2 - params->f*ss4;
f4 = 1.0 + ss*f2 + params->f*ss4;
*f = 1.0 + f3/f4;
if(order < 1) return;
aux1 = 1.0 + params->b*params->b*ss2;
aux2 = SQRT(aux1);
df1 = -2.0*params->alpha*ss*f1;
df2 = params->a*params->b/aux2;
df3 = 2.0*ss*(params->c + f1) + ss2*df1 - params->expo*params->f*ss4/ss;
df4 = f2 + ss*df2 + params->expo*params->f*ss4/ss;
*dfdx = (df3*f4 - f3*df4)/(f4*f4);
*dfdx *= X2S;
if(order < 2) return;
d2f1 = -2.0*params->alpha*(f1 + ss*df1);
d2f2 = -params->a*params->b*params->b*params->b*ss/(aux1*aux2);
d2f3 = 2.0*(params->c + f1) + 4.0*ss*df1 + ss2*d2f1 -
params->expo*(params->expo - 1.0)*params->f*ss4/ss2;
d2f4 = 2.0*df2 + ss*d2f2 +
params->expo*(params->expo - 1.0)*params->f*ss4/ss2;
*d2fdx2 = (2.0*f3*df4*df4 + d2f3*f4*f4 - f4*(2.0*df3*df4 + f3*d2f4))/(f4*f4*f4);
*d2fdx2 *= X2S*X2S;
if(order < 3) return;
d3f1 = -2.0*params->alpha*(2.0*df1 + ss*d2f1);
d3f2 = params->a*params->b*params->b*params->b*(2.0*params->b*params->b*ss2 - 1.0)/(aux1*aux1*aux2);
d3f3 = 6.0*df1 + 6.0*ss*d2f1 + ss2*d3f1 -
params->expo*(params->expo - 1.0)*(params->expo - 2.0)*params->f*ss4/(ss*ss2);
d3f4 = 3.0*d2f2 + ss*d3f2 +
params->expo*(params->expo - 1.0)*(params->expo - 2.0)*params->f*ss4/(ss*ss2);
*d3fdx3 = (-6.0*f3*df4*df4*df4 + 6.0*f4*df4*(df3*df4 + f3*d2f4) + f4*f4*f4*d3f3 - f4*f4*(3.0*df4*d2f3 + 3.0*df3*d2f4 + f3*d3f4))/(f4*f4*f4*f4);
*d3fdx3 *= X2S*X2S*X2S;
}
#define func XC(gga_x_pw91_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_pw91) = {
XC_GGA_X_PW91,
XC_EXCHANGE,
"Perdew & Wang 91",
XC_FAMILY_GGA,
"JP Perdew, in Proceedings of the 21st Annual International Symposium on the Electronic Structure of Solids, ed. by P Ziesche and H Eschrig (Akademie Verlag, Berlin, 1991), p. 11.\n"
"JP Perdew, JA Chevary, SH Vosko, KA Jackson, MR Pederson, DJ Singh, and C Fiolhais, Phys. Rev. B 46, 6671 (1992)\n"
"JP Perdew, JA Chevary, SH Vosko, KA Jackson, MR Pederson, DJ Singh, and C Fiolhais, Phys. Rev. B 48, 4978(E) (1993)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-25, 1e-25, 0.0, 1e-32,
gga_x_pw91_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_mpw91) = {
XC_GGA_X_MPW91,
XC_EXCHANGE,
"mPW91 of Adamo & Barone",
XC_FAMILY_GGA,
"C Adamo and V Barone, J. Chem. Phys. 108, 664 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-31, 1e-31, 0.0, 1e-32,
gga_x_pw91_init,
NULL, NULL,
work_gga_x,
NULL
};
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_lc94) = {
XC_GGA_K_LC94,
XC_KINETIC,
"Lembarki & Chermette",
XC_FAMILY_GGA,
"A Lembarki and H Chermette, Phys. Rev. A 50, 5328-5331 (1994)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-30, 1e-30, 0.0, 1e-32,
gga_x_pw91_init,
NULL, NULL,
work_gga_k,
NULL
};
libxc-2.1.2/src/gga_x_hjs.c 0000664 0001750 0001750 00000023003 12471363260 012426 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_HJS_PBE 525 /* HJS screened exchange PBE version */
#define XC_GGA_X_HJS_PBE_SOL 526 /* HJS screened exchange PBE_SOL version */
#define XC_GGA_X_HJS_B88 527 /* HJS screened exchange B88 version */
#define XC_GGA_X_HJS_B97X 528 /* HJS screened exchange B97x version */
typedef struct{
FLOAT omega;
const FLOAT *a, *b; /* pointers to the a and b parameters */
} gga_x_hjs_params;
static const FLOAT a_PBE[] =
{0.0159941, 0.0852995, -0.160368, 0.152645, -0.0971263, 0.0422061};
static const FLOAT b_PBE[] =
{5.33319, -12.4780, 11.0988, -5.11013, 1.71468, -0.610380, 0.307555, -0.0770547, 0.0334840};
static const FLOAT a_PBE_sol[] =
{0.0047333, 0.0403304, -0.0574615, 0.0435395, -0.0216251, 0.0063721};
static const FLOAT b_PBE_sol[] =
{8.52056, -13.9885, 9.28583, -3.27287, 0.843499, -0.235543, 0.0847074, -0.0171561, 0.0050552};
static const FLOAT a_B88[] =
{0.00968615, -0.0242498, 0.0259009, -0.0136606, 0.00309606, -7.32583e-5};
static const FLOAT b_B88[] =
{-2.50356, 2.79656, -1.79401, 0.714888, -0.165924, 0.0118379, 0.0037806, -1.57905e-4, 1.45323e-6};
static const FLOAT a_B97x[] =
{0.0027355, 0.0432970, -0.0669379, 0.0699060, -0.0474635, 0.0153092};
static const FLOAT b_B97x[] =
{15.8279, -26.8145, 17.8127, -5.98246, 1.25408, -0.270783, 0.0919536, -0.0140960, 0.0045466};
static void
gga_x_hjs_init(XC(func_type) *p)
{
assert(p->params == NULL);
p->params = malloc(sizeof(gga_x_hjs_params));
XC(gga_x_hjs_set_params)(p, 0.0);
switch(p->info->number){
case XC_GGA_X_HJS_PBE:
((gga_x_hjs_params *)(p->params))->a = a_PBE;
((gga_x_hjs_params *)(p->params))->b = b_PBE;
break;
case XC_GGA_X_HJS_PBE_SOL:
((gga_x_hjs_params *)(p->params))->a = a_PBE_sol;
((gga_x_hjs_params *)(p->params))->b = b_PBE_sol;
break;
case XC_GGA_X_HJS_B88:
((gga_x_hjs_params *)(p->params))->a = a_B88;
((gga_x_hjs_params *)(p->params))->b = b_B88;
break;
case XC_GGA_X_HJS_B97X:
((gga_x_hjs_params *)(p->params))->a = a_B97x;
((gga_x_hjs_params *)(p->params))->b = b_B97x;
break;
default:
fprintf(stderr, "Internal error in gga_x_hjs_init\n");
exit(1);
}
}
void
XC(gga_x_hjs_set_params)(XC(func_type) *p, FLOAT omega)
{
gga_x_hjs_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_hjs_params *) (p->params);
params->omega = omega;
}
#define HEADER 3
/* This implementation follows the one from nwchem */
static inline void
func(const XC(func_type) *p, int order, FLOAT x, FLOAT ds,
FLOAT *f, FLOAT *dfdx, FLOAT *lvrho)
{
static const FLOAT AA=0.757211, BB=-0.106364, CC=-0.118649, DD=0.609650;
FLOAT omega, kF, ss, ss2;
FLOAT H, F, EG;
FLOAT nu, zeta, eta, lambda, lambda2, lambda3, lambda4, chi, chi2, chi3, chi4, chi5;
FLOAT sqzpn2, sqepn2, sqlpn2;
FLOAT term1, term2, term3, term4, term5, term6;
FLOAT dnudrho, dssdx, dHds, dFds, dEGds;
FLOAT dzeta, dchids, dchidnu;
assert(p->params != NULL);
omega = ((gga_x_hjs_params *)(p->params))->omega;
kF = POW(3.0*M_PI*M_PI*ds, 1.0/3.0);
nu = omega/kF;
/* Rescaling the s values to ensure the Lieb-Oxford bound for s>8.3 */
ss = X2S*x;
ss2 = ss*ss;
if(order >= 1){
dnudrho = -nu/(3.0*ds);
dssdx = X2S;
}
/* first let us calculate H(s) */
{
const FLOAT *a, *b;
FLOAT Hnum, Hden, dHnum, dHden;
a = ((gga_x_hjs_params *)(p->params))->a;
b = ((gga_x_hjs_params *)(p->params))->b;
Hnum = ss2*(a[0] + ss*(a[1] + ss*(a[2] + ss*(a[3] + ss*(a[4] + ss*a[5])))));
Hden = 1.0 + ss*(b[0] + ss*(b[1] + ss*(b[2] + ss*(b[3] + ss*(b[4] + ss*(b[5] + ss*(b[6] + ss*(b[7] + ss*b[8]))))))));
H = Hnum/Hden;
if(order >= 1){
dHnum = ss*(2.0*a[0] + ss*(3.0*a[1] + ss*(4.0*a[2] + ss*(5.0*a[3] + ss*(6.0*a[4] + ss*7.0*a[5])))));
dHden = b[0] + ss*(2.0*b[1] + ss*(3.0*b[2] + ss*(4.0*b[3] +
ss*(5.0*b[4] + ss*(6.0*b[5] + ss*(7.0*b[6] + ss*(8.0*b[7] + ss*9.0*b[8])))))));
dHds = (Hden*dHnum - Hnum*dHden)/(Hden*Hden);
}
}
/* auxiliary variables */
{
FLOAT aux, saux;
zeta = ss2*H;
eta = AA + zeta;
lambda = DD + zeta;
aux = lambda + nu*nu;
saux = sqrt(aux);
chi = nu/saux;
lambda2 = lambda*lambda;
lambda3 = lambda*lambda2;
lambda4 = lambda*lambda3;
chi2 = chi*chi;
chi3 = chi*chi2;
chi4 = chi*chi3;
chi5 = chi*chi4;
if(order >= 1){
dzeta = 2*ss*H + ss2*dHds;
/* deta = dlambda = dzeta */
dchids = -nu*dzeta/(2.0*aux*saux);
dchidnu = lambda/(aux*saux);
}
}
/* now we calculate F(s) */
{
FLOAT aux = 1.0 + 0.25*ss2;
F = 1.0 - ss2/(27.0*CC*aux) - zeta/(2.0*CC);
if(order >= 1){
dFds = -2.0*ss/(27.0*CC*aux*aux) - dzeta/(2.0*CC);
}
}
/* and now G(s) */
{
FLOAT sqrtl = sqrt(lambda), sqrtz = sqrt(zeta), sqrte = sqrt(eta);
EG = -(2.0/5.0)*CC*F*lambda - (4.0/15.0)*BB*lambda2 - (6.0/5.0)*AA*lambda3
- lambda3*sqrtl*((4.0/5.0)*M_SQRTPI + (12.0/5.0)*(sqrtz - sqrte));
if(order >= 1){
dEGds = -(2.0/5.0)*CC*(dFds*lambda + F*dzeta) - (8.0/15.0)*BB*lambda*dzeta - (18.0/5.0)*AA*lambda2*dzeta
- (14.0/5.0)*M_SQRTPI*lambda2*sqrtl*dzeta
- (42.0/5.0)*lambda2*sqrtl*dzeta*((sqrtz - sqrte) + (1.0/7.0)*lambda*(1.0/sqrtz - 1.0/sqrte));
}
}
sqzpn2 = sqrt(zeta + nu*nu);
sqepn2 = sqrt(eta + nu*nu);
sqlpn2 = sqrt(lambda + nu*nu);
term1 = -(4.0/9.0)*BB*(1.0 - chi)/lambda;
term2 = -(2.0/9.0)*CC*F*(2.0 - 3.0*chi + chi3)/lambda2;
term3 = -(1.0/9.0)*EG*(8.0 - 15.0*chi + 10.0*chi3 - 3.0*chi5)/lambda3;
term4 = 2.0*nu*(sqzpn2 - sqepn2);
term5 = 2.0*zeta*LOG((nu + sqzpn2)/(nu + sqlpn2));
term6 = -2.0*eta*LOG((nu + sqepn2)/(nu + sqlpn2));
*f = AA + term1 + term2 + term3 + term4 + term5 + term6;
if(order >= 1){
FLOAT dterm1ds, dterm2ds, dterm3ds, dterm4ds, dterm5ds, dterm6ds;
FLOAT dterm1dnu, dterm2dnu, dterm3dnu, dterm4dnu, dterm5dnu, dterm6dnu;
dterm1ds = (4.0/9.0)*BB*(lambda*dchids + (1.0 - chi)*dzeta)/lambda2;
dterm2ds =-(2.0/9.0)*CC*
(chi - 1.0)*(-dFds*(2.0 - chi - chi2)*lambda + F*(3.0*(1.0 + chi)*lambda*dchids + 2.0*(2.0 - chi - chi2)*dzeta))/lambda3;
dterm3ds = -(1.0/9.0)*(chi - 1.0)*(chi - 1.0)*
((8.0 + chi - 6.0*chi2 - 3.0*chi3)*lambda*dEGds +
3.0*EG*(-5.0*(1.0 + chi)*(1.0 + chi)*lambda*dchids + (chi - 1.0)*(8.0 + 9.0*chi + 3.0*chi2)*dzeta))/lambda4;
dterm4ds = nu*dzeta*(1.0/sqzpn2 - 1.0/sqepn2);
dterm5ds = dzeta*(-(zeta/lambda)*(1.0 - nu/sqlpn2) + 1.0 + 2.0*LOG((nu + sqzpn2)/(nu + sqlpn2)) - nu/sqzpn2);
dterm6ds =-dzeta*(-( eta/lambda)*(1.0 - nu/sqlpn2) + 1.0 + 2.0*LOG((nu + sqepn2)/(nu + sqlpn2)) - nu/sqepn2);
*dfdx = dterm1ds + dterm2ds + dterm3ds + dterm4ds + dterm5ds + dterm6ds;
dterm1dnu = (4.0/9.0)*BB*dchidnu/lambda;
dterm2dnu = (2.0/3.0)*CC*F*(1.0 - chi2)*dchidnu/lambda2;
dterm3dnu = (5.0/3.0)*EG*(1.0 - 2.0*chi2 + chi4)*dchidnu/lambda3;
dterm4dnu = 2.0*(sqzpn2 - sqepn2 + nu*nu*(1.0/sqzpn2 - 1.0/sqepn2));
dterm5dnu = 2.0*zeta*(1.0/sqzpn2 - 1.0/sqlpn2);
dterm6dnu =-2.0*eta*(1.0/sqepn2 - 1.0/sqlpn2);
*lvrho = dterm1dnu + dterm2dnu + dterm3dnu + dterm4dnu + dterm5dnu + dterm6dnu;
/* scale and convert to the right variables */
*dfdx *= dssdx;
*lvrho *= dnudrho;
}
}
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_hjs_pbe) = {
XC_GGA_X_HJS_PBE,
XC_EXCHANGE,
"HJS screened exchange PBE version",
XC_FAMILY_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_hjs_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_hjs_pbe_sol) = {
XC_GGA_X_HJS_PBE_SOL,
XC_EXCHANGE,
"HJS screened exchange PBE_SOL version",
XC_FAMILY_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_hjs_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_hjs_b88) = {
XC_GGA_X_HJS_B88,
XC_EXCHANGE,
"HJS screened exchange B88 version",
XC_FAMILY_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-6, 1e-11, 0.0, 0.0, /* densities smaller than 1e-6 yield NaNs */
gga_x_hjs_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_hjs_b97x) = {
XC_GGA_X_HJS_B97X,
XC_EXCHANGE,
"HJS screened exchange B97x version",
XC_FAMILY_GGA,
"TM Henderson, BG Janesko, and GE Scuseria, J. Chem. Phys. 128, 194105 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_hjs_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/mgga_c_pkzb.c 0000664 0001750 0001750 00000025042 12471363260 012745 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_C_TPSS 231 /* Perdew, Tao, Staroverov & Scuseria correlation */
#define XC_MGGA_C_PKZB 239 /* Perdew, Kurth, Zupan, and Blaha */
#define XC_MGGA_C_REVTPSS 241 /* revised TPSS correlation */
typedef struct{
FLOAT C0_c[4];
FLOAT d, beta;
} mgga_c_pkzb_params;
static void
mgga_c_pkzb_init(XC(func_type) *p)
{
assert(p != NULL && p->params == NULL);
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
p->params = malloc(sizeof(mgga_c_pkzb_params));
switch(p->info->number){
case XC_MGGA_C_PKZB:
case XC_MGGA_C_TPSS:
XC(func_init)(p->func_aux[0], XC_GGA_C_PBE, XC_POLARIZED);
XC(mgga_c_pkzb_set_params)(p, 0.06672455060314922, 2.8, 0.53, 0.87, 0.50, 2.26);
break;
case XC_MGGA_C_REVTPSS:
XC(func_init)(p->func_aux[0], XC_GGA_C_VPBE, XC_POLARIZED);
XC(mgga_c_pkzb_set_params)(p, 0.06672455060314922, 2.8, 0.59, 0.9269, 0.6225, 2.1540);
break;
default:
fprintf(stderr, "Internal error in mgga_c_tpss\n");
exit(1);
}
}
void
XC(mgga_c_pkzb_set_params)(XC(func_type) *p, FLOAT beta, FLOAT d, FLOAT C0_0, FLOAT C0_1, FLOAT C0_2, FLOAT C0_3)
{
mgga_c_pkzb_params *params;
assert(p != NULL && p->params != NULL);
params = (mgga_c_pkzb_params *) (p->params);
params->beta = beta;
params->d = d;
params->C0_c[0] = C0_0;
params->C0_c[1] = C0_1;
params->C0_c[2] = C0_2;
params->C0_c[3] = C0_3;
XC(gga_c_pbe_set_params) (p->func_aux[0], beta);
}
static void
tpss_eq_13_14(const FLOAT *C0_c, FLOAT zeta, FLOAT csi2, int order, FLOAT *C, FLOAT *dCdzeta, FLOAT *dCdcsi2)
{
FLOAT fz, C0, dC0dz, dfzdz, aa, a4;
FLOAT z2=zeta*zeta;
if(zeta >= 1.0 || zeta <= -1.0){
*C = 0.0;
if(order > 0) *dCdcsi2 = *dCdzeta = 0.0;
return;
}
/* Equation (13) */
C0 = C0_c[0] + z2*(C0_c[1] + z2*(C0_c[2] + z2*C0_c[3]));
fz = 0.5*(POW(1.0 + zeta, -4.0/3.0) + POW(1.0 - zeta, -4.0/3.0));
/* Equation (14) */
aa = 1.0 + csi2*fz;
a4 = POW(aa, 4);
*C = C0 / a4;
if(order > 0){
/* Equation (13) */
dC0dz = zeta*(2.0*C0_c[1] + z2*(4.0*C0_c[2] + z2*6.0*C0_c[3]));
dfzdz = 0.5*(POW(1.0 + zeta, -7.0/3.0) - POW(1.0 - zeta, -7.0/3.0))*(-4.0/3.0);
/* Equation (14) */
*dCdcsi2 = -4.0*C0*fz/(aa*a4);
*dCdzeta = (dC0dz*aa - C0*4.0*csi2*dfzdz)/(aa*a4);
}
}
static void
func(const XC(func_type) *pt, XC(mgga_work_c_t) *r)
{
static const FLOAT tmin = 0.5e-10;
XC(gga_work_c_t) PBE[3];
mgga_c_pkzb_params *params;
FLOAT opz, omz, opz13, omz13, opz23, omz23, taut, xtot, dd, dd2, ddt, ddt2;
FLOAT C, dCdz, dCdxt, dCdxs[2];
FLOAT dtautdz, dtautdts[2], dxtotdz, dxtotdxt, dxtotdxs[2];
FLOAT ddddz, ddddxt, ddddxs[2], ddddts[2], dddtdz, dddtdxt, dddtdxs[2], dddtdts[2];
int is, is_tpss;
assert(pt!=NULL && pt->params != NULL);
params = (mgga_c_pkzb_params *)pt->params;
/* first we get the parallel and perpendicular PBE */
is_tpss = (pt->info->number == XC_MGGA_C_TPSS || pt->info->number == XC_MGGA_C_REVTPSS) ? 1 : 0;
XC(pbe_c_stoll) (pt->func_aux[0], is_tpss, r, PBE);
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
opz13 = CBRT(opz);
omz13 = CBRT(omz);
opz23 = opz13*opz13;
omz23 = omz13*omz13;
/* get value of C */
if(is_tpss){
FLOAT z2, cnst, aux, csi2;
FLOAT dCdcsi2,dauxdz, dcsi2dz, dcsi2dxt, dcsi2dxs[2];
z2 = r->zeta*r->zeta;
cnst = 2.0*CBRT(3.0*M_PI*M_PI);
aux = -r->xt*r->xt + (r->xs[0]*r->xs[0]*opz*opz23 + r->xs[1]*r->xs[1]*omz*omz23)/(2.0*M_CBRT2*M_CBRT2);
csi2 = (1.0 - z2)*aux/(cnst*cnst);
tpss_eq_13_14(params->C0_c, r->zeta, csi2, r->order, &C, &dCdz, &dCdcsi2);
if(r->order >= 1){
dauxdz = 5.0*(r->xs[0]*r->xs[0]*opz23 - r->xs[1]*r->xs[1]*omz23)/(6.0*M_CBRT2*M_CBRT2);
dcsi2dz = (-2.0*r->zeta*aux + (1.0 - z2)*dauxdz)/(cnst*cnst);
dcsi2dxt = -2.0*(1.0 - z2)*r->xt/(cnst*cnst);
dcsi2dxs[0] = (1.0 - z2)*r->xs[0]*opz*opz23/(cnst*cnst*M_CBRT2*M_CBRT2);
dcsi2dxs[1] = (1.0 - z2)*r->xs[1]*omz*omz23/(cnst*cnst*M_CBRT2*M_CBRT2);
dCdz += dCdcsi2*dcsi2dz;
dCdxt = dCdcsi2*dcsi2dxt;
dCdxs[0] = dCdcsi2*dcsi2dxs[0];
dCdxs[1] = dCdcsi2*dcsi2dxs[1];
}
}else{
C = 0.53;
if(r->order >= 1) dCdz = dCdxt = dCdxs[0] = dCdxs[1] = 0.0;
}
/* we get the spin compensated part */
taut = (r->ts[0]*opz*opz23 + r->ts[1]*omz*omz23)/(2.0*M_CBRT2*M_CBRT2);
if(is_tpss)
xtot = r->xt*r->xt;
else
xtot = (r->xs[0]*r->xs[0]*opz*opz23 + r->xs[1]*r->xs[1]*omz*omz23)/(2.0*M_CBRT2*M_CBRT2);
ddt = (taut > tmin) ? xtot/(8.0*taut) : 0.0;
ddt2 = ddt*ddt;
/* the functional */
r->f = (1.0 + C*ddt2)*PBE[2].f;
/* and the derivative */
if(r->order >= 1){
if(taut > tmin){
dtautdz = 5.0/3.0 * (r->ts[0]*opz23 - r->ts[1]*omz23)/(2.0*M_CBRT2*M_CBRT2);
dtautdts[0] = opz*opz23/(2.0*M_CBRT2*M_CBRT2);
dtautdts[1] = omz*omz23/(2.0*M_CBRT2*M_CBRT2);
if(is_tpss){
dxtotdz = 0.0;
dxtotdxt = 2.0*r->xt;
dxtotdxs[0] = 0.0;
dxtotdxs[1] = 0.0;
}else{
dxtotdz = 5.0/3.0 * (r->xs[0]*r->xs[0]*opz23 - r->xs[1]*r->xs[1]*omz23)/(2.0*M_CBRT2*M_CBRT2);
dxtotdxt = 0.0;
dxtotdxs[0] = 2.0*r->xs[0]*opz*opz23/(2.0*M_CBRT2*M_CBRT2);
dxtotdxs[1] = 2.0*r->xs[1]*omz*omz23/(2.0*M_CBRT2*M_CBRT2);
}
dddtdz = (dxtotdz*taut - xtot*dtautdz)/(8.0*taut*taut);
dddtdxt = dxtotdxt/(8.0*taut);
dddtdxs[0] = dxtotdxs[0]/(8.0*taut);
dddtdxs[1] = dxtotdxs[1]/(8.0*taut);
dddtdts[0] = -xtot*dtautdts[0]/(8.0*taut*taut);
dddtdts[1] = -xtot*dtautdts[1]/(8.0*taut*taut);
}else{
dddtdz = dddtdxt = dddtdxs[0] = dddtdxs[1] = dddtdts[0] = dddtdts[1] = 0.0;
}
r->dfdrs = (1.0 + C*ddt2)*PBE[2].dfdrs;
r->dfdz = (1.0 + C*ddt2)*PBE[2].dfdz + (dCdz *ddt2 + 2.0*C*ddt*dddtdz )*PBE[2].f;
r->dfdxt = (1.0 + C*ddt2)*PBE[2].dfdxt + (dCdxt *ddt2 + 2.0*C*ddt*dddtdxt )*PBE[2].f;
r->dfdxs[0] = (1.0 + C*ddt2)*PBE[2].dfdxs[0] + (dCdxs[0]*ddt2 + 2.0*C*ddt*dddtdxs[0])*PBE[2].f;
r->dfdxs[1] = (1.0 + C*ddt2)*PBE[2].dfdxs[1] + (dCdxs[1]*ddt2 + 2.0*C*ddt*dddtdxs[1])*PBE[2].f;
r->dfdts[0] = 2.0*C*ddt*dddtdts[0]*PBE[2].f;
r->dfdts[1] = 2.0*C*ddt*dddtdts[1]*PBE[2].f;
}
if(r->order >= 2){
}
/* now the spin-resolved part */
for(is = 0; is < 2; is++){
int js = (is == 0) ? 1 : 0;
if(is_tpss){
dd = ddt;
dd2 = ddt2;
}else{
dd = (r->ts[is] > tmin) ? r->xs[is]*r->xs[is]/(8.0*r->ts[is]) : 0.0;
dd2 = dd*dd;
}
r->f += -(1.0 + C)*dd2*PBE[is].f;
if(r->order < 1) continue;
if(is_tpss){
ddddz = dddtdz;
ddddxt = dddtdxt;
ddddxs[0] = dddtdxs[0];
ddddxs[1] = dddtdxs[1];
ddddts[0] = dddtdts[0];
ddddts[1] = dddtdts[1];
}else{
ddddz = ddddxt = ddddxs[js] = ddddts[js] = 0.0;
if(r->ts[is] > tmin){
ddddxs[is] = 2.0*r->xs[is]/(8.0*r->ts[is]);
ddddts[is] = -r->xs[is]*r->xs[is]/(8.0*r->ts[is]*r->ts[is]);
}else
ddddxs[is] = ddddts[is] = 0.0;
}
r->dfdrs += -(1.0 + C)*dd2*PBE[is].dfdrs;
r->dfdz += -(1.0 + C)*dd*(2.0*ddddz *PBE[is].f + dd*PBE[is].dfdz) - dCdz *dd2*PBE[is].f;
r->dfdxt += -(1.0 + C)*dd*(2.0*ddddxt *PBE[is].f + dd*PBE[is].dfdxt) - dCdxt *dd2*PBE[is].f;
r->dfdxs[0] += -(1.0 + C)*dd*(2.0*ddddxs[0]*PBE[is].f + dd*PBE[is].dfdxs[0]) - dCdxs[0]*dd2*PBE[is].f;
r->dfdxs[1] += -(1.0 + C)*dd*(2.0*ddddxs[1]*PBE[is].f + dd*PBE[is].dfdxs[1]) - dCdxs[1]*dd2*PBE[is].f;
r->dfdts[0] += -(1.0 + C)*2.0*dd*ddddts[0]*PBE[is].f;
r->dfdts[1] += -(1.0 + C)*2.0*dd*ddddts[1]*PBE[is].f;
}
if(is_tpss){
r->f = r->f*(1.0 + params->d*r->f*ddt*ddt2);
if(r->order >= 1){
r->dfdrs = r->dfdrs*(1.0 + 2.0*params->d*r->f*ddt*ddt2);
r->dfdz = r->dfdz *(1.0 + 2.0*params->d*r->f*ddt*ddt2) + 3.0*r->f*r->f*params->d*dddtdz *ddt2;
r->dfdxt = r->dfdxt*(1.0 + 2.0*params->d*r->f*ddt*ddt2) + 3.0*r->f*r->f*params->d*dddtdxt*ddt2;
r->dfdxs[0] = r->dfdxs[0]*(1.0 + 2.0*params->d*r->f*ddt*ddt2) + 3.0*r->f*r->f*params->d*dddtdxs[0]*ddt2;
r->dfdxs[1] = r->dfdxs[1]*(1.0 + 2.0*params->d*r->f*ddt*ddt2) + 3.0*r->f*r->f*params->d*dddtdxs[1]*ddt2;
r->dfdts[0] = r->dfdts[0]*(1.0 + 2.0*params->d*r->f*ddt*ddt2) + 3.0*r->f*r->f*params->d*dddtdts[0]*ddt2;
r->dfdts[1] = r->dfdts[1]*(1.0 + 2.0*params->d*r->f*ddt*ddt2) + 3.0*r->f*r->f*params->d*dddtdts[1]*ddt2;
}
}
}
#include "work_mgga_c.c"
XC(func_info_type) XC(func_info_mgga_c_pkzb) = {
XC_MGGA_C_PKZB,
XC_CORRELATION,
"Perdew, Kurth, Zupan, and Blaha",
XC_FAMILY_MGGA,
"JP Perdew, S Kurth, A Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544-2547 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-26, 1e-32, 1e-32, 1e-32, /* densities smaller than 1e-26 give NaNs */
mgga_c_pkzb_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_tpss) = {
XC_MGGA_C_TPSS,
XC_CORRELATION,
"Tao, Perdew, Staroverov & Scuseria",
XC_FAMILY_MGGA,
"J Tao, JP Perdew, VN Staroverov, and G Scuseria, Phys. Rev. Lett. 91, 146401 (2003)\n"
"JP Perdew, J Tao, VN Staroverov, and G Scuseria, J. Chem. Phys. 120, 6898 (2004)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-26, 1e-32, 1e-32, 1e-32, /* densities smaller than 1e-26 give NaNs */
mgga_c_pkzb_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_revtpss) = {
XC_MGGA_C_REVTPSS,
XC_CORRELATION,
"revised TPSS correlation",
XC_FAMILY_MGGA,
"JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, and J Sun, Phys. Rev. Lett. 103, 026403 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-26, 1e-32, 1e-32, 1e-32, /* densities smaller than 1e-26 give NaNs */
mgga_c_pkzb_init,
NULL, NULL, NULL,
work_mgga_c,
};
libxc-2.1.2/src/lda_c_wigner.c 0000664 0001750 0001750 00000003601 12471363260 013114 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include "util.h"
/************************************************************************
Wigner's parametrization from the low density limit
************************************************************************/
#define XC_LDA_C_WIGNER 2 /* Wigner parametrization */
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
static FLOAT a = -0.44, b = 7.8;
FLOAT t, t2;
t = b + r->rs[1];
r->zk = a/t;
if(r->order < 1) return;
t2 = t*t;
r->dedrs = -a/t2;
r->dedz = 0.0;
if(r->order < 2) return;
r->d2edrs2 = 2.0*a/(t2*t);
r->d2edrsz = r->d2edz2 = 0.0;
if(r->order < 3) return;
r->d3edrs3 = -2.0*3.0*a/(t2*t2);
r->d3edrs2z = r->d3edrsz2 = r->d3edz3 = 0.0;
}
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_wigner) = {
XC_LDA_C_WIGNER,
XC_CORRELATION,
"Wigner",
XC_FAMILY_LDA,
"EP Wigner, Trans. Faraday Soc. 34, 678 (1938)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/gga_k_ol2.c 0000664 0001750 0001750 00000005302 12471363260 012323 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_K_OL2 513 /* Ou-Yang and Levy v.2 */
#define XC_GGA_X_OL2 183 /* Exchange form based on Ou-Yang and Levy v.2 */
static void
gga_k_ol2_init(XC(func_type) *p)
{
switch(p->info->number){
case XC_GGA_K_OL2: p->func = 0; break;
case XC_GGA_X_OL2: p->func = 1; break;
}
}
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const FLOAT aa[2] = { 1.0, (FLOAT)M_CBRT2*0.07064/X_FACTOR_C};
static const FLOAT bb[2] = { 1.0/K_FACTOR_C, (FLOAT)M_CBRT2*0.07064/X_FACTOR_C};
static const FLOAT cc[2] = {0.00887/K_FACTOR_C, (FLOAT)M_CBRT2*(FLOAT)M_CBRT2*0.07064*34.0135/X_FACTOR_C};
FLOAT denom;
denom = M_CBRT2 + 4.0*x;
*f = aa[p->func] + bb[p->func]*x*x/72.0 + cc[p->func]*x/denom;
if(order < 1) return;
*dfdx = 2.0*bb[p->func]*x/72.0 + cc[p->func]*M_CBRT2/(denom*denom);
if(order < 2) return;
*d2fdx2 = 2.0*bb[p->func]/72.0 - 8.0*cc[p->func]*M_CBRT2/(denom*denom*denom);
}
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_ol2) = {
XC_GGA_X_OL2,
XC_EXCHANGE,
"Exchange form based on Ou-Yang and Levy v.2",
XC_FAMILY_GGA,
"P Fuentealba and O Reyes, Chem. Phys. Lett. 232, 31-34 (1995)\n"
"H Ou-Yang, M Levy, Int. J. of Quant. Chem. 40, 379-388 (1991)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_ol2_init,
NULL, NULL,
work_gga_x,
NULL
};
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_ol2) = {
XC_GGA_K_OL2,
XC_KINETIC,
"Ou-Yang and Levy v.2",
XC_FAMILY_GGA,
"H Ou-Yang, M Levy, Int. J. of Quant. Chem. 40, 379-388 (1991)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_ol2_init,
NULL, NULL,
work_gga_k,
NULL
};
libxc-2.1.2/src/hyb_gga_xc_b97.c 0000664 0001750 0001750 00000015726 12471363260 013265 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_HYB_GGA_XC_B97 407 /* Becke 97 */
#define XC_HYB_GGA_XC_B97_1 408 /* Becke 97-1 */
#define XC_HYB_GGA_XC_B97_2 410 /* Becke 97-2 */
#define XC_HYB_GGA_XC_B97_K 413 /* Boese-Martin for Kinetics */
#define XC_HYB_GGA_XC_B97_3 414 /* Becke 97-3 */
#define XC_HYB_GGA_XC_SB98_1a 420 /* Schmider-Becke 98 parameterization 1a */
#define XC_HYB_GGA_XC_SB98_1b 421 /* Schmider-Becke 98 parameterization 1b */
#define XC_HYB_GGA_XC_SB98_1c 422 /* Schmider-Becke 98 parameterization 1c */
#define XC_HYB_GGA_XC_SB98_2a 423 /* Schmider-Becke 98 parameterization 2a */
#define XC_HYB_GGA_XC_SB98_2b 424 /* Schmider-Becke 98 parameterization 2b */
#define XC_HYB_GGA_XC_SB98_2c 425 /* Schmider-Becke 98 parameterization 2c */
static void
hyb_gga_xc_b97_init(XC(func_type) *p)
{
const struct { int iGGA; FLOAT a0; } par[] = {
{XC_GGA_XC_B97, 0.1943},
{XC_GGA_XC_B97_1, 0.21},
{XC_GGA_XC_B97_2, 0.21},
{XC_GGA_XC_B97_K, 0.42},
{XC_GGA_XC_B97_3, 2.692880E-01},
{XC_GGA_XC_SB98_1a, 0.229015},
{XC_GGA_XC_SB98_1b, 0.199352},
{XC_GGA_XC_SB98_1c, 0.192416},
{XC_GGA_XC_SB98_2a, 0.232055},
{XC_GGA_XC_SB98_2b, 0.237978},
{XC_GGA_XC_SB98_2c, 0.219847},
};
int func;
FLOAT one = 1.0;
switch(p->info->number){
case XC_HYB_GGA_XC_B97: func = 0; break;
case XC_HYB_GGA_XC_B97_1: func = 1; break;
case XC_HYB_GGA_XC_B97_2: func = 2; break;
case XC_HYB_GGA_XC_B97_K: func = 3; break;
case XC_HYB_GGA_XC_B97_3: func = 4; break;
case XC_HYB_GGA_XC_SB98_1a: func = 5; break;
case XC_HYB_GGA_XC_SB98_1b: func = 6; break;
case XC_HYB_GGA_XC_SB98_1c: func = 7; break;
case XC_HYB_GGA_XC_SB98_2a: func = 8; break;
case XC_HYB_GGA_XC_SB98_2b: func = 9; break;
case XC_HYB_GGA_XC_SB98_2c: func = 10; break;
default:
fprintf(stderr, "Internal error in hyb_gga_xc_b97_init\n");
exit(1);
break;
}
XC(mix_init)(p, 1, &(par[func].iGGA), &one);
p->cam_alpha = par[func].a0;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_b97) = {
XC_HYB_GGA_XC_B97,
XC_EXCHANGE_CORRELATION,
"Becke 97",
XC_FAMILY_HYB_GGA,
"AD Becke, J. Chem. Phys. 107, 8554 (1997)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL /* this is taken care by the generic routine */
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_b97_1) = {
XC_HYB_GGA_XC_B97_1,
XC_EXCHANGE_CORRELATION,
"Becke 97-1",
XC_FAMILY_HYB_GGA,
"FA Hamprecht, AJ Cohen, DJ Tozer, and NC Handy, J. Chem. Phys. 109, 6264 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_b97_2) = {
XC_HYB_GGA_XC_B97_2,
XC_EXCHANGE_CORRELATION,
"Becke 97-2",
XC_FAMILY_HYB_GGA,
"PJ Wilson, TJ Bradley, and DJ Tozer, J. Chem. Phys. 115, 9233 (2001)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_b97_k) = {
XC_HYB_GGA_XC_B97_K,
XC_EXCHANGE_CORRELATION,
"Boese-Martin for Kinetics",
XC_FAMILY_HYB_GGA,
"AD Boese and JML Martin, J. Chem. Phys., Vol. 121, 3405 (2004)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_b97_3) = {
XC_HYB_GGA_XC_B97_3,
XC_EXCHANGE_CORRELATION,
"Becke 97-3",
XC_FAMILY_HYB_GGA,
"TW Keal and DJ Tozer, J. Chem. Phys. 123, 121103 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_sb98_1a) = {
XC_HYB_GGA_XC_SB98_1a,
XC_EXCHANGE_CORRELATION,
"SB98 (1a)",
XC_FAMILY_HYB_GGA,
"HL Schmider and AD Becke, J. Chem. Phys. 108, 9624 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_sb98_1b) = {
XC_HYB_GGA_XC_SB98_1b,
XC_EXCHANGE_CORRELATION,
"SB98 (1b)",
XC_FAMILY_HYB_GGA,
"HL Schmider and AD Becke, J. Chem. Phys. 108, 9624 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_sb98_1c) = {
XC_HYB_GGA_XC_SB98_1c,
XC_EXCHANGE_CORRELATION,
"SB98 (1c)",
XC_FAMILY_HYB_GGA,
"HL Schmider and AD Becke, J. Chem. Phys. 108, 9624 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_sb98_2a) = {
XC_HYB_GGA_XC_SB98_2a,
XC_EXCHANGE_CORRELATION,
"SB98 (2a)",
XC_FAMILY_HYB_GGA,
"HL Schmider and AD Becke, J. Chem. Phys. 108, 9624 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_sb98_2b) = {
XC_HYB_GGA_XC_SB98_2b,
XC_EXCHANGE_CORRELATION,
"SB98 (2b)",
XC_FAMILY_HYB_GGA,
"HL Schmider and AD Becke, J. Chem. Phys. 108, 9624 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_sb98_2c) = {
XC_HYB_GGA_XC_SB98_2c,
XC_EXCHANGE_CORRELATION,
"SB98 (2c)",
XC_FAMILY_HYB_GGA,
"HL Schmider and AD Becke, J. Chem. Phys. 108, 9624 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_gga_xc_b97_init,
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/mgga_x_m05.c 0000664 0001750 0001750 00000010075 12471363260 012425 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_M05 214 /* M05 functional of Minnesota */
#define XC_MGGA_X_M05_2X 215 /* M05-2X functional of Minnesota */
#define XC_MGGA_X_M06_2X 218 /* M06-2X functional of Minnesota */
static const FLOAT a_m05[12] =
{1.0, 0.08151, -0.43956, -3.22422, 2.01819, 8.79431, -0.00295,
9.82029, -4.82351, -48.17574, 3.64802, 34.02248};
static const FLOAT a_m05_2x[12] =
{1.0, -0.56833, -1.30057, 5.50070, 9.06402, -32.21075, -23.73298,
70.22996, 29.88614, -60.25778, -13.22205, 15.23694};
static const FLOAT a_m06_2x[12] =
{4.600000e-01, -2.206052e-01, -9.431788e-02, 2.164494e+00, -2.556466e+00, -1.422133e+01,
1.555044e+01, 3.598078e+01, -2.722754e+01, -3.924093e+01, 1.522808e+01, 1.522227e+01};
typedef struct{
int n;
const FLOAT *a;
} mgga_x_m05_params;
static void
mgga_x_m05_init(XC(func_type) *p)
{
mgga_x_m05_params *params;
assert(p != NULL);
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_GGA_X_PBE, p->nspin);
assert(p->params == NULL);
p->params = malloc(sizeof(mgga_x_m05_params));
params = (mgga_x_m05_params *) (p->params);
switch(p->info->number){
case XC_MGGA_X_M05:
params->n = 12;
params->a = a_m05;
break;
case XC_MGGA_X_M05_2X:
params->n = 12;
params->a = a_m05_2x;
break;
case XC_MGGA_X_M06_2X:
params->n = 12;
params->a = a_m06_2x;
break;
default:
fprintf(stderr, "Internal error in mgga_x_m05\n");
exit(1);
}
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
mgga_x_m05_params *params;
FLOAT e_f, e_dfdx, e_d2fdx2;
FLOAT fw, dfwdt;
assert(pt != NULL && pt->params != NULL);
params = (mgga_x_m05_params *) (pt->params);
XC(gga_x_pbe_enhance)(pt->func_aux[0], r->order, r->x, &e_f, &e_dfdx, &e_d2fdx2, NULL);
XC(mgga_series_w)(r->order, params->n, params->a, r->t, &fw, &dfwdt);
r->f = e_f*fw;
if(r->order < 1) return;
r->dfdx = e_dfdx*fw;
r->dfdt = e_f*dfwdt;
r->dfdu = 0.0;
if(r->order < 2) return;
}
#include "work_mgga_x.c"
XC(func_info_type) XC(func_info_mgga_x_m05) = {
XC_MGGA_X_M05,
XC_EXCHANGE,
"M05 functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao, NE Schultz, and DG Truhlar, J. Chem. Phys. 123, 161103 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_m05_init,
NULL, NULL, NULL,
work_mgga_x,
};
XC(func_info_type) XC(func_info_mgga_x_m05_2x) = {
XC_MGGA_X_M05_2X,
XC_EXCHANGE,
"M05-2X functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao, NE Schultz, and DG Truhlar, J. Chem. Theory Comput. 2, 364 (2006)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_m05_init,
NULL, NULL, NULL,
work_mgga_x,
};
const XC(func_info_type) XC(func_info_mgga_x_m06_2x) = {
XC_MGGA_X_M06_2X,
XC_EXCHANGE,
"M06-2X functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, Theor. Chem. Acc. 120, 215 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
mgga_x_m05_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
libxc-2.1.2/src/hyb_mgga_xc_tpssh.c 0000664 0001750 0001750 00000005107 12471363260 014172 0000000 0000000 /*
Copyright (C) 2014 Susi Lehtola
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_HYB_MGGA_XC_TPSSH 457 /* TPSS hybrid */
#define XC_HYB_MGGA_XC_REVTPSSH 458 /* revTPSS hybrid */
static void
hyb_mgga_xc_tpssh_init(XC(func_type) *p)
{
static int funcs_id [2] = {XC_MGGA_X_TPSS, XC_MGGA_C_TPSS};
static FLOAT funcs_coef[2] = {0.9, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.10;
}
void
XC(hyb_mgga_xc_tpssh_set_params)(XC(func_type) *p, FLOAT alpha)
{
assert(alpha>=0 && alpha<=1.0);
p->cam_alpha = alpha;
p->mix_coef[0] = 1.0 - alpha;
}
const XC(func_info_type) XC(func_info_hyb_mgga_xc_tpssh) = {
XC_HYB_MGGA_XC_TPSSH,
XC_EXCHANGE_CORRELATION,
"TPSSh",
XC_FAMILY_HYB_MGGA,
"V. N. Staroverov, G. E. Scuseria, J. Tao and J. P. Perdew, J. Chem. Phys. 119, 12129 (2003)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_mgga_xc_tpssh_init,
NULL, NULL, NULL, NULL /* this is taken care by the generic routine */
};
static void
hyb_mgga_xc_revtpssh_init(XC(func_type) *p)
{
static int funcs_id [2] = {XC_MGGA_X_REVTPSS, XC_MGGA_C_REVTPSS};
static FLOAT funcs_coef[2] = {0.9, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.10;
}
void
XC(hyb_mgga_xc_revtpssh_set_params)(XC(func_type) *p, FLOAT alpha)
{
assert(alpha>=0 && alpha<=1.0);
p->cam_alpha = alpha;
p->mix_coef[0] = 1.0 - alpha;
}
const XC(func_info_type) XC(func_info_hyb_mgga_xc_revtpssh) = {
XC_HYB_MGGA_XC_REVTPSSH,
XC_EXCHANGE_CORRELATION,
"revTPSSh",
XC_FAMILY_HYB_MGGA,
"G. I. Csonka, J. P. Perdew, and A. Ruzsinszky, J. Chem. Theory Comput. 6, 3688 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
hyb_mgga_xc_revtpssh_init,
NULL, NULL, NULL, NULL /* this is taken care by the generic routine */
};
libxc-2.1.2/src/mgga_x_pkzb.c 0000664 0001750 0001750 00000004464 12471363260 012777 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_PKZB 213 /* Perdew, Kurth, Zupan, and Blaha */
static const FLOAT kappa = 0.804;
static void Eq_14(FLOAT pp, FLOAT qt, int order, FLOAT *xx, FLOAT *dxxdpp, FLOAT *dxxdqt)
{
static const FLOAT
a1 = 10.0/81.0,
a2 = 146.0/2025.0,
a3 = -73.0/405.0,
a4 = 0.131957187845257783631757384393; /* DD + 100.0/(81.0*81.0*kappa); */
*xx = a1*pp + a2*qt*qt + a3*qt*pp + a4*pp*pp;
if(order < 1) return;
*dxxdpp = a1 + a3*qt + 2.0*a4*pp;
*dxxdqt = 2.0*a2*qt + a3*pp;
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
FLOAT x2s2, pp, rr, qt, xx, dxxdpp, dxxdqt;
FLOAT kpxx, k2, dqtdrr, dqtdpp, dfdxx;
x2s2 = X2S*X2S;
k2 = kappa*kappa;
pp = x2s2*r->x*r->x;
rr = x2s2*r->t;
qt = 6.0*rr - 9.0/20.0 - pp/12.0;
Eq_14(pp, qt, r->order, &xx, &dxxdpp, &dxxdqt);
kpxx = kappa + xx;
r->f = 1.0 + kappa - k2/kpxx;
if(r->order < 1) return;
dqtdrr = 6.0;
dqtdpp = -1.0/12.0;
dfdxx = k2/(kpxx*kpxx);
r->dfdx = dfdxx*(dxxdpp + dxxdqt*dqtdpp)*2.0*x2s2*r->x;
r->dfdt = dfdxx*dxxdqt*dqtdrr*x2s2;
r->dfdu = 0.0;
if(r->order < 2) return;
}
#include "work_mgga_x.c"
XC(func_info_type) XC(func_info_mgga_x_pkzb) = {
XC_MGGA_X_PKZB,
XC_EXCHANGE,
"Perdew, Kurth, Zupan, and Blaha",
XC_FAMILY_MGGA,
"JP Perdew, S Kurth, A Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544-2547 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
NULL,
NULL, NULL, NULL,
work_mgga_x,
};
libxc-2.1.2/src/mgga_x_m08.c 0000664 0001750 0001750 00000021660 12471363260 012432 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_M08_HX 219 /* M08-HX functional of Minnesota */
#define XC_MGGA_X_M08_SO 220 /* M08-SO functional of Minnesota */
#define XC_HYB_MGGA_X_M11 225 /* M11 functional of Minnesota */
#define XC_MGGA_X_M11_L 226 /* M11-L functional of Minnesota */
static const FLOAT a_m08_hx[12] = {
1.3340172e+00, -9.4751087e+00, -1.2541893e+01, 9.1369974e+00, 3.4717204e+01, 5.8831807e+01,
7.1369574e+01, 2.3312961e+01, 4.8314679e+00, -6.5044167e+00, -1.4058265e+01, 1.2880570e+01
};
static const FLOAT b_m08_hx[12] = {
-8.5631823e-01, 9.2810354e+00, 1.2260749e+01, -5.5189665e+00, -3.5534989e+01, -8.2049996e+01,
-6.8586558e+01, 3.6085694e+01, -9.3740983e+00, -5.9731688e+01, 1.6587868e+01, 1.3993203e+01
};
static const FLOAT a_m08_so[12] = {
-3.4888428e-01, -5.8157416e+00, 3.7550810e+01, 6.3727406e+01, -5.3742313e+01, -9.8595529e+01,
1.6282216e+01, 1.7513468e+01, -6.7627553e+00, 1.1106658e+01, 1.5663545e+00, 8.7603470e+00
};
static const FLOAT b_m08_so[12] = {
7.8098428e-01, 5.4538178e+00, -3.7853348e+01, -6.2295080e+01, 4.6713254e+01, 8.7321376e+01,
1.6053446e+01, 2.0126920e+01, -4.0343695e+01, -5.8577565e+01, 2.0890272e+01, 1.0946903e+01
};
static const FLOAT a_m11[12] = {
-0.18399900e+00, -1.39046703e+01, 1.18206837e+01, 3.10098465e+01, -5.19625696e+01, 1.55750312e+01,
-6.94775730e+00, -1.58465014e+02, -1.48447565e+00, 5.51042124e+01, -1.34714184e+01, 0.00000000e+00
};
static const FLOAT b_m11[12] = {
0.75599900e+00, 1.37137944e+01, -1.27998304e+01, -2.93428814e+01, 5.91075674e+01, -2.27604866e+01,
-1.02769340e+01, 1.64752731e+02, 1.85349258e+01, -5.56825639e+01, 7.47980859e+00, 0.00000000e+00
};
static const FLOAT a_m11_l[12] = {
8.121131e-01, 1.738124e+01, 1.154007e+00, 6.869556e+01, 1.016864e+02, -5.887467e+00,
4.517409e+01, -2.773149e+00, -2.617211e+01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT b_m11_l[12] = {
1.878869e-01, -1.653877e+01, 6.755753e-01, -7.567572e+01, -1.040272e+02, 1.831853e+01,
-5.573352e+01, -3.520210e+00, 3.724276e+01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT c_m11_l[12] = {
-4.386615e-01, -1.214016e+02, -1.393573e+02, -2.046649e+00, 2.804098e+01, -1.312258e+01,
-6.361819e+00, -8.055758e-01, 3.736551e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT d_m11_l[12] = {
1.438662e+00, 1.209465e+02, 1.328252e+02, 1.296355e+01, 5.854866e+00, -3.378162e+00,
-4.423393e+01, 6.844475e+00, 1.949541e+01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
typedef struct{
const FLOAT *a, *b;
int LC;
} mgga_x_m08_params;
static void
mgga_x_m08_init(XC(func_type) *p)
{
mgga_x_m08_params *params;
assert(p != NULL);
p->n_func_aux = 2;
p->func_aux = (XC(func_type) **) malloc(2*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
p->func_aux[1] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_GGA_X_PBE, p->nspin);
XC(func_init)(p->func_aux[1], XC_GGA_X_RPBE, p->nspin);
XC(gga_x_pbe_set_params) (p->func_aux[0], 0.804, 0.21951);
XC(gga_x_rpbe_set_params) (p->func_aux[1], 0.552, 10.0/81.0);
assert(p->params == NULL);
p->params = malloc(sizeof(mgga_x_m08_params));
params = (mgga_x_m08_params *) (p->params);
switch(p->info->number){
case XC_MGGA_X_M08_HX:
params->a = a_m08_hx;
params->b = b_m08_hx;
params->LC = 0;
break;
case XC_MGGA_X_M08_SO:
params->a = a_m08_so;
params->b = b_m08_so;
params->LC = 0;
break;
case XC_HYB_MGGA_X_M11:
params->a = a_m11;
params->b = b_m11;
params->LC = 1;
p->cam_alpha = 1.0;
p->cam_beta = -(1.0 - 0.428);
p->cam_omega = 0.25;
break;
case XC_MGGA_X_M11_L:
params->a = a_m11_l;
params->b = b_m11_l;
params->LC = 1;
break;
default:
fprintf(stderr, "Internal error in mgga_x_m08\n");
exit(1);
}
}
static void
func(const XC(func_type) *pt, XC(mgga_work_c_t) *r)
{
const FLOAT sign[2] = {1.0, -1.0};
mgga_x_m08_params *params;
int is;
FLOAT ep_f, ep_dfdx, ep_d2fdx2, er_f, er_dfdx, er_d2fdx2;
FLOAT fw1, fw2, fw3, fw4, dfw1dt, dfw2dt, dfw3dt, dfw4dt;
FLOAT cnst_rs, opz, opz13, rss, ex, drssdrs, drssdz, dexdrss, dexdz;
FLOAT a_cnst, f_aa, df_aa;
assert(pt != NULL && pt->params != NULL);
params = (mgga_x_m08_params *) (pt->params);
cnst_rs = CBRT(4.0*M_PI/3.0);
r->f = 0.0;
if(r->order >= 1)
r->dfdrs = r->dfdz = r->dfdxt = r->dfdxs[0] = r->dfdxs[1] = r->dfdts[0] = r->dfdts[1] = 0.0;
for(is = 0; is < 2; is++){
opz = 1.0 + sign[is]*r->zeta;
if(opz < pt->info->min_zeta) continue;
opz13 = CBRT(opz);
rss = r->rs*M_CBRT2/opz13;
XC(gga_x_pbe_enhance) (pt->func_aux[0], r->order, r->xs[is], &ep_f, &ep_dfdx, &ep_d2fdx2, NULL);
XC(gga_x_rpbe_enhance)(pt->func_aux[1], r->order, r->xs[is], &er_f, &er_dfdx, &er_d2fdx2, NULL);
XC(mgga_series_w)(r->order, 12, params->a, r->ts[is], &fw1, &dfw1dt);
XC(mgga_series_w)(r->order, 12, params->b, r->ts[is], &fw2, &dfw2dt);
if(pt->info->number == XC_MGGA_X_M11_L){
XC(mgga_series_w)(r->order, 12, c_m11_l, r->ts[is], &fw3, &dfw3dt);
XC(mgga_series_w)(r->order, 12, d_m11_l, r->ts[is], &fw4, &dfw4dt);
}
if(params->LC == 1){
a_cnst = CBRT(2.0/(9.0*M_PI))*pt->cam_omega/2.0;
XC(lda_x_attenuation_function)(XC_RSF_ERF, r->order, a_cnst*rss, &f_aa, &df_aa, NULL, NULL);
/* the rest of the SR is evaluated at the HF level */
if(pt->info->number == XC_HYB_MGGA_X_M11){
f_aa *= -pt->cam_beta;
df_aa *= -pt->cam_beta;
}
df_aa *= a_cnst;
}else{
f_aa = 1.0;
df_aa = 0.0;
}
ex = -X_FACTOR_C*opz/(2.0*cnst_rs*rss);
r->f += ex*f_aa*(ep_f*fw1 + er_f*fw2);
if(pt->info->number == XC_MGGA_X_M11_L){
r->f += ex*(1.0 - f_aa)*(ep_f*fw3 + er_f*fw4);
}
if(r->order < 1) continue;
drssdrs = M_CBRT2/opz13;
drssdz = -sign[is]*rss/(3.0*opz);
dexdrss = -ex/rss;
dexdz = sign[is]*ex/opz;
r->dfdrs += (dexdrss*f_aa + ex*df_aa)*drssdrs*(ep_f*fw1 + er_f*fw2);
r->dfdz += (dexdz*f_aa + (dexdrss*f_aa + ex*df_aa)*drssdz) *(ep_f*fw1 + er_f*fw2);
r->dfdxs[is] = ex*f_aa*(ep_dfdx*fw1 + er_dfdx*fw2);
r->dfdts[is] = ex*f_aa*(ep_f*dfw1dt + er_f*dfw2dt);
if(pt->info->number == XC_MGGA_X_M11_L){
r->dfdrs += (dexdrss*(1.0 - f_aa) - ex*df_aa)*drssdrs*(ep_f*fw3 + er_f*fw4);
r->dfdz += (dexdz*(1.0 - f_aa) + (dexdrss*(1.0 - f_aa) - ex*df_aa)*drssdz) *(ep_f*fw3 + er_f*fw4);
r->dfdxs[is] += ex*(1.0 - f_aa)*(ep_dfdx*fw3 + er_dfdx*fw4);
r->dfdts[is] += ex*(1.0 - f_aa)*(ep_f*dfw3dt + er_f*dfw4dt);
}
if(r->order < 2) continue;
}
}
#include "work_mgga_c.c"
XC(func_info_type) XC(func_info_mgga_x_m08_hx) = {
XC_MGGA_X_M08_HX,
XC_EXCHANGE,
"M08-HX functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, J. Chem. Theory Comput. 4, 1849-1868 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_x_m08_so) = {
XC_MGGA_X_M08_SO,
XC_EXCHANGE,
"M08-SO functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, J. Chem. Theory Comput. 4, 1849-1868 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_hyb_mgga_x_m11) = {
XC_HYB_MGGA_X_M11,
XC_EXCHANGE,
"M11 functional of Minnesota",
XC_FAMILY_HYB_MGGA,
"R Peverati, and DG Truhlar, J. Phys. Chem. Lett. 2, 2810 (2011)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_x_m11_l) = {
XC_MGGA_X_M11_L,
XC_EXCHANGE,
"M11-L functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati, and DG Truhlar, J. Phys. Chem. Lett. 3, 117 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_x_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
libxc-2.1.2/src/work_gga_x.c 0000664 0001750 0001750 00000017075 12471363260 012640 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
/************************************************************************
This file is to be included in GGA exchange functionals. As often these
functionals are written as a function of s = |grad n|/n^(4/3), this
routine performs the necessary conversions between a functional of s
and of rho.
************************************************************************/
#ifndef HEADER
# define HEADER 1
#endif
#ifndef XC_DIMENSIONS
# define XC_DIMENSIONS 3
#endif
static void
#ifdef XC_KINETIC_FUNCTIONAL
work_gga_k
#else
work_gga_x
#endif
(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma,
FLOAT *v2rho2, FLOAT *v2rhosigma, FLOAT *v2sigma2,
FLOAT *v3rho3, FLOAT *v3rho2sigma, FLOAT *v3rhosigma2, FLOAT *v3sigma3)
{
FLOAT sfact, sfact2, x_factor_c, alpha, beta, dens;
int is, is2, ip, order;
/* constants for the evaluation of the different terms */
FLOAT c_zk[1];
FLOAT c_vrho[3], c_vsigma[2];
FLOAT c_v2rho2[3], c_v2rhosigma[4], c_v2sigma2[2];
FLOAT c_v3rho3[4], c_v3rho2sigma[3], c_v3rhosigma2[3], c_v3sigma3[3];
/* variables used inside the is loop */
FLOAT gdm, ds, rhoLDA;
FLOAT x, f, dfdx, d2fdx2, d3fdx3, lvsigma, lv2sigma2, lvsigmax, lvrho;
/* alpha is the power of rho in the corresponding LDA
beta is the power of rho in the expression for x */
beta = 1.0 + 1.0/XC_DIMENSIONS; /* exponent of the density in expression for x */
#ifndef XC_KINETIC_FUNCTIONAL
alpha = beta;
# if XC_DIMENSIONS == 2
x_factor_c = -X_FACTOR_2D_C;
# else /* three dimensions */
x_factor_c = -X_FACTOR_C;
# endif
#else
# if XC_DIMENSIONS == 2
# else /* three dimensions */
alpha = 5.0/3.0;
x_factor_c = K_FACTOR_C;
# endif
#endif
sfact = (p->nspin == XC_POLARIZED) ? 1.0 : 2.0;
sfact2 = sfact*sfact;
/* Initialize several constants */
order = -1;
if(zk != NULL){
order = 0;
c_zk[0] = sfact*x_factor_c;
}
if(vrho != NULL){
order = 1;
c_vrho[0] = x_factor_c*alpha;
c_vrho[1] = -x_factor_c*beta;
c_vrho[2] = x_factor_c;
c_vsigma[0] = sfact*x_factor_c;
c_vsigma[1] = sfact*x_factor_c;
}
if(v2rho2 != NULL){
order = 2;
c_v2rho2[0] = (x_factor_c/sfact) * (alpha - 1.0)*alpha;
c_v2rho2[1] = (x_factor_c/sfact) * beta*(beta - 2.0*alpha + 1.0);
c_v2rho2[2] = (x_factor_c/sfact) * beta*beta;
c_v2rhosigma[0] = x_factor_c * (alpha - beta)/2.0;
c_v2rhosigma[1] = -x_factor_c * beta/2.0;
c_v2rhosigma[2] = x_factor_c * alpha;
c_v2rhosigma[3] = -x_factor_c * beta;
c_v2sigma2[0] = x_factor_c*sfact / 4.0;
c_v2sigma2[1] = x_factor_c*sfact;
}
if(v3rho3 != NULL){
order = 3;
c_v3rho3[0] = (x_factor_c/sfact2) * (alpha - 2.0)*(alpha - 1.0)*alpha;
c_v3rho3[1] = -(x_factor_c/sfact2) * (3.0*alpha*alpha - 3.0*alpha*(2.0 + beta) + (1.0 + beta)*(2.0 + beta))*beta;
c_v3rho3[2] = -(x_factor_c/sfact2) * 3.0*(1.0 - alpha + beta)*beta*beta;
c_v3rho3[3] = -(x_factor_c/sfact2) * beta*beta*beta;
c_v3rho2sigma[0] = (x_factor_c/sfact) * (alpha - beta - 1.0)*(alpha - beta)/2.0;
c_v3rho2sigma[1] = (x_factor_c/sfact) * (1.0 - 2.0*alpha + 3.0*beta)*beta/2.0;
c_v3rho2sigma[2] = (x_factor_c/sfact) * beta*beta/2.0;
c_v3rhosigma2[0] = -x_factor_c * (alpha - beta)/4.0;
c_v3rhosigma2[1] = x_factor_c * (alpha - beta)/4.0;
c_v3rhosigma2[2] = -x_factor_c * beta/4.0;
c_v3sigma3[0] = x_factor_c*sfact * 3.0/8.0;
c_v3sigma3[1] = -x_factor_c*sfact * 3.0/8.0;
c_v3sigma3[2] = x_factor_c*sfact /8.0;
}
if(order < 0) return;
/* the loop over the points starts */
for(ip = 0; ip < np; ip++){
dens = (p->nspin == XC_UNPOLARIZED) ? rho[0] : rho[0] + rho[1];
if(dens < p->info->min_dens) goto end_ip_loop;
for(is=0; isnspin; is++){
is2 = 2*is;
if(rho[is] < p->info->min_dens) continue;
gdm = max(SQRT(sigma[is2])/sfact, p->info->min_grad);
ds = rho[is]/sfact;
rhoLDA = POW(ds, alpha);
x = gdm/POW(ds, beta);
dfdx = d2fdx2 = d3fdx3 = 0.0;
lvsigma = lv2sigma2 = lvsigmax = lvrho = 0.0;
#if HEADER == 1
func(p, order, x, &f, &dfdx, &d2fdx2, &d3fdx3);
#elif HEADER == 2
/* this second header is useful for functionals that depend
explicitly both on x and on sigma */
func(p, order, x, gdm*gdm, &f, &dfdx, &lvsigma, &d2fdx2, &lv2sigma2, &lvsigmax);
lvsigma /= sfact2;
lvsigmax /= sfact2;
lv2sigma2 /= sfact2*sfact2;
#elif HEADER == 3
/* this second header is useful for functionals that depend
explicitly both on x and on rho*/
func(p, order, x, ds, &f, &dfdx, &lvrho);
#endif
if(order > 0) dfdx *= x;
if(order > 1) d2fdx2 *= x*x;
if(order > 2) d3fdx3 *= x*x*x;
if(zk != NULL && (p->info->flags & XC_FLAGS_HAVE_EXC))
*zk += rhoLDA*
c_zk[0]*f;
if(vrho != NULL && (p->info->flags & XC_FLAGS_HAVE_VXC)){
vrho[is] += (rhoLDA/ds)*
(c_vrho[0]*f + c_vrho[1]*dfdx) + rhoLDA*c_vrho[2]*lvrho;
if(gdm > p->info->min_grad)
vsigma[is2] = rhoLDA*
(c_vsigma[0]*dfdx/(2.0*sigma[is2]) + c_vsigma[1]*lvsigma);
}
if(v2rho2 != NULL && (p->info->flags & XC_FLAGS_HAVE_FXC)){
v2rho2[is2] = rhoLDA/(ds*ds) * (c_v2rho2[0]*f + c_v2rho2[1]*dfdx + c_v2rho2[2]*d2fdx2);
if(gdm > p->info->min_grad){
v2rhosigma[is*5] = (rhoLDA/ds) *
((c_v2rhosigma[0]*dfdx + c_v2rhosigma[1]*d2fdx2)/sigma[is2] + c_v2rhosigma[2]*lvsigma + c_v2rhosigma[3]*x*lvsigmax);
v2sigma2 [is*5] = rhoLDA*
(c_v2sigma2[0]*(d2fdx2 - dfdx)/(sigma[is2]*sigma[is2]) + c_v2sigma2[1]*(lv2sigma2 + lvsigmax*x/sigma[is2]));
}
}
if(v3rho3 != NULL && (p->info->flags & XC_FLAGS_HAVE_KXC)){
v3rho3[is*3] = rhoLDA/(ds*ds*ds) *
(c_v3rho3[0]*f + c_v3rho3[1]*dfdx + c_v3rho3[2]*d2fdx2 + c_v3rho3[3]*d3fdx3);
if(gdm > p->info->min_grad){
v3rho2sigma[is*8] = rhoLDA/(ds*ds) *
(c_v3rho2sigma[0]*dfdx + c_v3rho2sigma[1]*d2fdx2 + c_v3rho2sigma[2]*d3fdx3)/sigma[is2];
v3rhosigma2[is*11] = (rhoLDA/ds) *
(c_v3rhosigma2[0]*dfdx + c_v3rhosigma2[1]*d2fdx2 + c_v3rhosigma2[2]*d3fdx3)/(sigma[is2]*sigma[is2]);
v3sigma3[is*9] = rhoLDA*
(c_v3sigma3[0]*dfdx + c_v3sigma3[1]*d2fdx2 + c_v3sigma3[2]*d3fdx3)/(sigma[is2]*sigma[is2]*sigma[is2]);
}
}
}
if(zk != NULL && (p->info->flags & XC_FLAGS_HAVE_EXC))
*zk /= dens; /* we want energy per particle */
end_ip_loop:
/* increment pointers */
rho += p->n_rho;
sigma += p->n_sigma;
if(zk != NULL)
zk += p->n_zk;
if(vrho != NULL){
vrho += p->n_vrho;
vsigma += p->n_vsigma;
}
if(v2rho2 != NULL){
v2rho2 += p->n_v2rho2;
v2rhosigma += p->n_v2rhosigma;
v2sigma2 += p->n_v2sigma2;
}
if(v3rho3 != NULL){
v3rho3 += p->n_v3rho3;
v3rho2sigma += p->n_v3rho2sigma;
v3rhosigma2 += p->n_v3rhosigma2;
v3sigma3 += p->n_v3sigma3;
}
}
}
libxc-2.1.2/src/gga_x_ak13.c 0000664 0001750 0001750 00000004565 12471363260 012415 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include "util.h"
#define XC_GGA_X_AK13 56 /* Armiento & Kuemmel 2013 */
static const FLOAT B1 = 1.74959015598863046792081721182; /* 3*muGE/5 + 8 pi/15 */
static const FLOAT B2 = -1.62613336586517367779736042170; /* muGE - B1 */
FLOAT XC(gga_ak13_get_asymptotic) (FLOAT homo)
{
FLOAT Qx, aa, aa2, factor;
Qx = SQRT(2.0)*B1/(3.0*CBRT(3.0*M_PI*M_PI));
aa = X_FACTOR_C*Qx;
aa2 = aa*aa;
factor = (homo < 0.0) ? -1.0 : 1.0;
return (aa2/2.0)*(1.0 + factor*SQRT(1.0 - 4.0*homo/aa2));
}
void XC(gga_x_ak13_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT ss, den, f1, f2;
ss = X2S*x;
f1 = LOG(1.0 + ss);
f2 = LOG(1.0 + f1);
*f = 1.0 + B1*ss*f1 + B2*ss*f2;
if(order < 1) return;
den = (1.0 + ss)*(1.0 + f1);
*dfdx = B1*f1 + ss*(B1 + B2 + B1*f1)/den + B2*f2;
*dfdx *= X2S;
if(order < 2) return;
*d2fdx2 = (2.0*B2 + B1*(2.0 + ss) + (2.0 + ss)*f1*(2.0*B1 + B2 + B1*f1))/(den*den);
*d2fdx2 *= X2S*X2S;
if(order < 3) return;
*d3fdx3 = (B2*(ss - 6.0) - B1*(ss + 3.0) - f1*(3.0*B1*(ss + 3.0) + B2*(2.0*ss + 9.0) + (ss + 3.0)*f1*(3.0*B1 + B2 + B1*f1)))/(den*den*den);
*d3fdx3 *= X2S*X2S*X2S;
}
#define func XC(gga_x_ak13_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_ak13) = {
XC_GGA_X_AK13,
XC_EXCHANGE,
"Armiento & Kuemmel 2013",
XC_FAMILY_GGA,
"R Armiento and S Kuemmel, PRL 111, 036402 (2013)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/bessel.c 0000664 0001750 0001750 00000022205 12471363260 011755 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
static FLOAT bi0_data[12] = {
-.07660547252839144951, 1.92733795399380827000, .22826445869203013390, .01304891466707290428, .00043442709008164874,
.00000942265768600193, .00000014340062895106, .00000000161384906966, .00000000001396650044, .00000000000009579451,
.00000000000000053339, .00000000000000000245
};
static FLOAT ai0_data[21] = {
.07575994494023796, .00759138081082334, .00041531313389237, .00001070076463439, -.00000790117997921,
-.00000078261435014, .00000027838499429, .00000000825247260, -.00000001204463945, .00000000155964859,
.00000000022925563, -.00000000011916228, .00000000001757854, .00000000000112822, -.00000000000114684,
.00000000000027155, -.00000000000002415, -.00000000000000608, .00000000000000314, -.00000000000000071,
.00000000000000007
};
static FLOAT ai02_data[22] = {
.05449041101410882, .00336911647825569, .00006889758346918, .00000289137052082, .00000020489185893,
.00000002266668991, .00000000339623203, .00000000049406022, .00000000001188914, -.00000000003149915,
-.00000000001321580, -.00000000000179419, .00000000000071801, .00000000000038529, .00000000000001539,
-.00000000000004151, -.00000000000000954, .00000000000000382, .00000000000000176, -.00000000000000034,
-.00000000000000027, .00000000000000003
};
/*
Compute the exponentially scaled modified (hyperbolic)
Bessel function of the first kind of order zero.
based on the SLATEC routine by W. Fullerton
*/
FLOAT XC(bessel_I0_scaled)(const FLOAT x)
{
FLOAT y = ABS(x), r = 0.0;
if(y < 2.0*SQRT_FLOAT_EPSILON)
r = 1.0 - y;
else if(y <= 3.0)
r = EXP(-y)*(2.75 + XC(cheb_eval)(y*y/4.5-1.0, bi0_data, 12));
else if(y <= 8.0)
r = (.375 + XC(cheb_eval)((48.0/y - 11.0)/5.0, ai0_data, 21))/SQRT(y);
else
r = (.375 + XC(cheb_eval)(16.0/y - 1.0, ai02_data, 22))/SQRT(y);
return r;
}
/*
Compute the hyperbolic Bessel function of the first kind
of order zero.
based on the SLATEC routine by W. Fullerton
*/
FLOAT XC(bessel_I0)(const FLOAT x)
{
FLOAT y = ABS(x), r = 0.0;
if(y < 2.0*SQRT_FLOAT_EPSILON)
r = 1.0;
else if(y <= 3.0)
r = 2.75 + XC(cheb_eval)(y*y/4.5 - 1.0, bi0_data, 12);
else if(y < LOG_FLOAT_MAX - 1.0)
r = EXP(y) * XC(bessel_I0_scaled)(x);
else
fprintf(stderr, "Overflow in bessel_I0\n");
return r;
}
static FLOAT bi1_data[11] = {
-0.001971713261099859, 0.407348876675464810, 0.034838994299959456, 0.001545394556300123, 0.000041888521098377,
0.000000764902676483, 0.000000010042493924, 0.000000000099322077, 0.000000000000766380, 0.000000000000004741,
0.000000000000000024
};
static FLOAT ai1_data[21] = {
-0.02846744181881479, -0.01922953231443221, -0.00061151858579437, -0.00002069971253350, 0.00000858561914581,
0.00000104949824671, -0.00000029183389184, -0.00000001559378146, 0.00000001318012367, -0.00000000144842341,
-0.00000000029085122, 0.00000000012663889, -0.00000000001664947, -0.00000000000166665, 0.00000000000124260,
-0.00000000000027315, 0.00000000000002023, 0.00000000000000730, -0.00000000000000333, 0.00000000000000071,
-0.00000000000000006
};
static FLOAT ai12_data[22] = {
0.02857623501828014, -0.00976109749136147, -0.00011058893876263, -0.00000388256480887, -0.00000025122362377,
-0.00000002631468847, -0.00000000383538039, -0.00000000055897433, -0.00000000001897495, 0.00000000003252602,
0.00000000001412580, 0.00000000000203564, -0.00000000000071985, -0.00000000000040836, -0.00000000000002101,
0.00000000000004273, 0.00000000000001041, -0.00000000000000382, -0.00000000000000186, 0.00000000000000033,
0.00000000000000028, -0.00000000000000003
};
FLOAT XC(bessel_I1_scaled)(const FLOAT x)
{
const FLOAT xmin = 2.0 * FLOAT_MIN;
const FLOAT x_small = 2.0 * M_SQRT2 * SQRT_FLOAT_EPSILON;
const FLOAT y = ABS(x);
FLOAT r = 0.0;
if(y == 0.0)
r = 0.0;
else if(y < xmin)
fprintf(stderr, "Underflow error in bessel_I1_scaled\n");
else if(y < x_small)
r = 0.5*x*EXP(-y);
else if(y <= 3.0)
r = x*EXP(-y)*(0.875 + XC(cheb_eval)(y*y/4.5 - 1.0, bi1_data, 11));
else{
if(y <= 8.0)
r = (0.375 + XC(cheb_eval)((48.0/y - 11.0)/5.0, ai1_data, 21))/SQRT(y);
else
r = (0.375 + XC(cheb_eval)(16.0/y - 1.0, ai12_data, 22))/SQRT(y);
r *= (x > 0.0 ? 1.0 : -1.0);
}
return r;
}
FLOAT XC(bessel_I1)(const FLOAT x)
{
const FLOAT xmin = 2.0 * FLOAT_MIN;
const FLOAT x_small = 2.0 * M_SQRT2 * SQRT_FLOAT_EPSILON;
const FLOAT y = ABS(x);
FLOAT r = 0.0;
if(y == 0.0)
r = 0.0;
else if(y < xmin)
fprintf(stderr, "Underflow error in bessel_I1\n");
else if(y < x_small)
r = 0.5*x;
else if(y <= 3.0)
r = x*(0.875 + XC(cheb_eval)(y*y/4.5 - 1.0, bi1_data, 11));
else
r = EXP(x)*XC(bessel_I1_scaled(x));
return r;
}
static FLOAT bk0_data[11] = {
-0.03532739323390276872, 0.3442898999246284869, 0.03597993651536150163, 0.00126461541144692592, 0.00002286212103119451,
0.00000025347910790261, 0.00000000190451637722, 0.00000000001034969525, 0.00000000000004259816, 0.00000000000000013744,
0.00000000000000000035
};
static FLOAT ak0_data[17] = {
-0.07643947903327941, -0.02235652605699819, 0.00077341811546938, -0.00004281006688886, 0.00000308170017386,
-0.00000026393672220, 0.00000002563713036, -0.00000000274270554, 0.00000000031694296, -0.00000000003902353,
0.00000000000506804, -0.00000000000068895, 0.00000000000009744, -0.00000000000001427, 0.00000000000000215,
-0.00000000000000033, 0.00000000000000005
};
static FLOAT ak02_data[14] = {
-0.01201869826307592, -0.00917485269102569, 0.00014445509317750, -0.00000401361417543, 0.00000015678318108,
-0.00000000777011043, 0.00000000046111825, -0.00000000003158592, 0.00000000000243501, -0.00000000000020743,
0.00000000000001925, -0.00000000000000192, 0.00000000000000020, -0.00000000000000002
};
FLOAT XC(bessel_K0_scaled)(const FLOAT x)
{
FLOAT r = 0.0;
if(x <= 0.0)
fprintf(stderr, "Domain error in bessel_K0_scaled\n");
else if(x <= 2.0)
r = EXP(x)*(-LOG(0.5*x)*XC(bessel_I0)(x) - 0.25 + XC(cheb_eval)(0.5*x*x - 1.0, bk0_data, 11));
else if(x <= 8.0)
r = (1.25 + XC(cheb_eval)((16.0/x - 5.0)/3.0, ak0_data, 17))/SQRT(x);
else
r = (1.25 + XC(cheb_eval)(16.0/x - 1.0, ak02_data, 14))/SQRT(x);
return r;
}
FLOAT XC(bessel_K0)(const FLOAT x)
{
FLOAT r = 0.0;
if(x <= 0.0)
fprintf(stderr, "Domain error in bessel_K0\n");
else if(x <= 2.0)
r = -LOG(0.5*x)*XC(bessel_I0)(x) - 0.25 + XC(cheb_eval)(0.5*x*x - 1.0, bk0_data, 11);
else
r = EXP(-x)*XC(bessel_K0_scaled)(x);
return r;
}
static FLOAT bk1_data[11] = {
0.0253002273389477705, -0.3531559607765448760, -0.1226111808226571480, -0.0069757238596398643, -0.0001730288957513052,
-0.0000024334061415659, -0.0000000221338763073, -0.0000000001411488392, -0.0000000000006666901, -0.0000000000000024274,
-0.0000000000000000070
};
static FLOAT ak1_data[17] = {
0.27443134069738830, 0.07571989953199368, -0.00144105155647540, 0.00006650116955125, -0.00000436998470952,
0.00000035402774997, -0.00000003311163779, 0.00000000344597758, -0.00000000038989323, 0.00000000004720819,
-0.00000000000604783, 0.00000000000081284, -0.00000000000011386, 0.00000000000001654, -0.00000000000000248,
0.00000000000000038, -0.00000000000000006
};
static FLOAT ak12_data[14] = {
0.06379308343739001, 0.02832887813049721, -0.00024753706739052, 0.00000577197245160, -0.00000020689392195,
0.00000000973998344, -0.00000000055853361, 0.00000000003732996, -0.00000000000282505, 0.00000000000023720,
-0.00000000000002176, 0.00000000000000215, -0.00000000000000022, 0.00000000000000002
};
FLOAT XC(bessel_K1_scaled)(const FLOAT x)
{
FLOAT r = 0.0;
if(x <= 0.0)
fprintf(stderr, "Domain error in bessel_K1_scaled\n");
else if(x <= 2.0)
r = EXP(x)*(LOG(0.5*x)*XC(bessel_I1)(x) +
(0.75 + XC(cheb_eval)(.5*x*x - 1.0, bk1_data, 11))/x);
else if(x <= 8.0)
r = (1.25 + XC(cheb_eval)((16.0/x - 5.0)/3.0, ak1_data, 17))/SQRT(x);
else
r = (1.25 + XC(cheb_eval)(16.0/x - 1.0, ak12_data, 14))/SQRT(x);
return r;
}
FLOAT XC(bessel_K1)(const FLOAT x)
{
FLOAT r = 0.0;
if(x <= 0.0)
fprintf(stderr, "Domain error in bessel_K1\n");
else if(x<2.0*FLOAT_MIN)
fprintf(stderr, "Overflow error in bessel_K1\n");
else if(x <= 2.0)
r = LOG(0.5*x)*XC(bessel_I1)(x) + (0.75 + XC(cheb_eval)(0.5*x*x - 1.0, bk1_data, 11))/x;
else
r = EXP(-x)*XC(bessel_K1_scaled)(x);
return r;
}
libxc-2.1.2/src/gga_xc_1w.c 0000664 0001750 0001750 00000006654 12471363260 012351 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_XC_XLYP 166 /* XLYP functional */
#define XC_GGA_XC_PBE1W 173 /* Functionals fitted for water */
#define XC_GGA_XC_MPWLYP1W 174 /* Functionals fitted for water */
#define XC_GGA_XC_PBELYP1W 175 /* Functionals fitted for water */
static void
gga_xc_xlyp_init(XC(func_type) *p)
{
static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_GGA_X_PW91, XC_GGA_C_LYP};
static FLOAT funcs_coef[4] = {1.0 - 0.722 - 0.347, 0.722, 0.347, 1.0};
XC(mix_init)(p, 4, funcs_id, funcs_coef);
}
const XC(func_info_type) XC(func_info_gga_xc_xlyp) = {
XC_GGA_XC_XLYP,
XC_EXCHANGE_CORRELATION,
"XLYP",
XC_FAMILY_GGA,
"X Xu and WA Goddard, III, PNAS 101, 2673 (2004)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_xlyp_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_pbe1w_init(XC(func_type) *p)
{
static int funcs_id [3] = {XC_LDA_C_VWN, XC_GGA_X_PBE, XC_GGA_C_PBE};
static FLOAT funcs_coef[3] = {1.0 - 74.0/100.0, 1.0, 74.0/100.0};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
}
const XC(func_info_type) XC(func_info_gga_xc_pbe1w) = {
XC_GGA_XC_PBE1W,
XC_EXCHANGE_CORRELATION,
"PBE1W",
XC_FAMILY_GGA,
"EE Dahlke and DG Truhlar, J. Phys. Chem. B 109, 15677 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_pbe1w_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_mpwlyp1w_init(XC(func_type) *p)
{
static int funcs_id [3] = {XC_LDA_C_VWN, XC_GGA_X_MPW91, XC_GGA_C_LYP};
static FLOAT funcs_coef[3] = {1.0 - 88.0/100.0, 1.0, 88.0/100.0};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
}
const XC(func_info_type) XC(func_info_gga_xc_mpwlyp1w) = {
XC_GGA_XC_MPWLYP1W,
XC_EXCHANGE_CORRELATION,
"mPWLYP1w",
XC_FAMILY_GGA,
"EE Dahlke and DG Truhlar, J. Phys. Chem. B 109, 15677 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_mpwlyp1w_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_pbelyp1w_init(XC(func_type) *p)
{
static int funcs_id [3] = {XC_LDA_C_VWN, XC_GGA_X_PBE, XC_GGA_C_LYP};
static FLOAT funcs_coef[3] = {1.0 - 74.0/100.0, 1.0, 74.0/100.0};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
}
const XC(func_info_type) XC(func_info_gga_xc_pbelyp1w) = {
XC_GGA_XC_PBELYP1W,
XC_EXCHANGE_CORRELATION,
"PBELYP1W",
XC_FAMILY_GGA,
"EE Dahlke and DG Truhlar, J. Phys. Chem. B 109, 15677 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_pbelyp1w_init,
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/hyb_gga_xc_b1wc.c 0000664 0001750 0001750 00000014506 12471363260 013513 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_HYB_GGA_XC_B1WC 412 /* Becke 1-parameter mixture of WC and PBE */
#define XC_HYB_GGA_XC_B1LYP 416 /* Becke 1-parameter mixture of B88 and LYP */
#define XC_HYB_GGA_XC_B1PW91 417 /* Becke 1-parameter mixture of B88 and PW91 */
#define XC_HYB_GGA_XC_mPW1PW 418 /* Becke 1-parameter mixture of mPW91 and PW91 */
#define XC_HYB_GGA_XC_mPW1K 405 /* mixture of mPW91 and PW91 optimized for kinetics */
#define XC_HYB_GGA_XC_BHANDH 435 /* Becke half-and-half */
#define XC_HYB_GGA_XC_BHANDHLYP 436 /* Becke half-and-half with B88 exchange */
#define XC_HYB_GGA_XC_MPWLYP1M 453 /* MPW with 1 par. for metals/LYP */
void
XC(hyb_gga_xc_b1wc_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_WC, XC_GGA_C_PBE};
static FLOAT funcs_coef[2] = {1.0 - 0.16, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.16;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_b1wc) = {
XC_HYB_GGA_XC_B1WC,
XC_EXCHANGE_CORRELATION,
"B1WC",
XC_FAMILY_HYB_GGA,
"DI Bilc, R Orlando, R Shaltaf, G-M Rignanese, J Iniguez, and Ph Ghosez, Phys. Rev. B 77, 165107 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_b1wc_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_b1lyp_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_LYP};
static FLOAT funcs_coef[2] = {1.0 - 0.25, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.25;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_b1lyp) = {
XC_HYB_GGA_XC_B1LYP,
XC_EXCHANGE_CORRELATION,
"B1LYP",
XC_FAMILY_HYB_GGA,
"C. Adamo, V. Barone, Chem. Phys. Lett. 274, 242 (1997)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_b1lyp_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_b1pw91_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_PW91};
static FLOAT funcs_coef[2] = {1.0 - 0.25, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.25;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_b1pw91) = {
XC_HYB_GGA_XC_B1PW91,
XC_EXCHANGE_CORRELATION,
"B1PW91",
XC_FAMILY_HYB_GGA,
"C. Adamo, V. Barone, Chem. Phys. Lett. 274, 242 (1997)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_b1pw91_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_mpw1pw_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_MPW91, XC_GGA_C_PW91};
static FLOAT funcs_coef[2] = {1.0 - 0.25, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.25;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_mpw1pw) = {
XC_HYB_GGA_XC_mPW1PW,
XC_EXCHANGE_CORRELATION,
"mPW1PW",
XC_FAMILY_HYB_GGA,
"C. Adamo, V. Barone, J. Chem. Phys. 108, 664 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_mpw1pw_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_mpw1k_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_MPW91, XC_GGA_C_PW91};
static FLOAT funcs_coef[2] = {1.0 - 0.428, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.428;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_mpw1k) = {
XC_HYB_GGA_XC_mPW1K,
XC_EXCHANGE_CORRELATION,
"mPW1K",
XC_FAMILY_HYB_GGA,
"BJ Lynch, PL Fast, M Harris, DGJ Truhlar, Phys. Chem. A 104, 4811 (2000)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_mpw1k_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_bhandh_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_LDA_X, XC_GGA_C_LYP};
static FLOAT funcs_coef[2] = {0.5, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.5;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_bhandh) = {
XC_HYB_GGA_XC_BHANDH,
XC_EXCHANGE_CORRELATION,
"BHandH",
XC_FAMILY_HYB_GGA,
"AD Becke, J. Chem. Phys., 98 1372-77 (1993)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_bhandh_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_bhandhlyp_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_LYP};
static FLOAT funcs_coef[2] = {0.5, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.5;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_bhandhlyp) = {
XC_HYB_GGA_XC_BHANDHLYP,
XC_EXCHANGE_CORRELATION,
"BHandHLYP",
XC_FAMILY_HYB_GGA,
"AD Becke, J. Chem. Phys., 98 1372-77 (1993)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_bhandhlyp_init),
NULL, NULL, NULL, NULL
};
void
XC(hyb_gga_xc_mpwlyp1m_init)(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_MPW91, XC_GGA_C_LYP};
static FLOAT funcs_coef[2] = {1.0 - 0.05, 1.0};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
p->cam_alpha = 0.05;
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_mpwlyp1m) = {
XC_HYB_GGA_XC_MPWLYP1M,
XC_EXCHANGE_CORRELATION,
"MPW with 1 par. for metals/LYP",
XC_FAMILY_HYB_GGA,
"NE Schultz, Y Zhao, and DG Truhlar, J. Phys. Chem. A 109, 11127-11143 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_mpwlyp1m_init),
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/gga_x_lb.c 0000664 0001750 0001750 00000012555 12471363260 012251 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
/* Note: Do not forget to add a correlation (LDA) functional to the
LB94.
Note 2: The 160 value is hardcoded in xc.h and libxc_master.F90 to
define XC_GGA_XC_LB to keep backwards compatibility.
*/
#define XC_GGA_X_LB 160 /* van Leeuwen & Baerends */
#define XC_GGA_X_LBM 182 /* van Leeuwen & Baerends modified*/
typedef struct{
int modified; /* shall we use a modified version */
FLOAT threshold; /* when to start using the analytic form */
FLOAT ip; /* ionization potential of the species */
FLOAT qtot; /* total charge in the region */
FLOAT aa; /* the parameters of LB94 */
FLOAT gamm;
FLOAT alpha;
FLOAT beta;
} XC(gga_x_lb_params);
/************************************************************************
Calculates van Leeuwen Baerends functional
************************************************************************/
static void
gga_lb_init(XC(func_type) *p)
{
XC(gga_x_lb_params) *params;
assert(p->params == NULL);
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_LDA_X, p->nspin);
p->params = malloc(sizeof(XC(gga_x_lb_params)));
XC(gga_lb_set_params)(p, 0, 0.0, 1e-32, 0.0);
params = (XC(gga_x_lb_params) *) (p->params);
switch(p->info->number){
case XC_GGA_X_LB:
params->alpha = 1.0;
params->beta = 0.05;
break;
case XC_GGA_X_LBM:
params->alpha = 1.19;
params->beta = 0.01;
break;
}
}
void
XC(gga_lb_set_params)(XC(func_type) *p, int modified, FLOAT threshold, FLOAT ip, FLOAT qtot)
{
XC(gga_x_lb_params) *params;
assert(p!=NULL && p->params!=NULL);
params = (XC(gga_x_lb_params) *) (p->params);
params->modified = modified;
params->threshold = threshold;
params->ip = ip;
params->qtot = qtot;
if(params->modified){
params->aa = (params->ip > 0.0) ? 2.0*SQRT(2.0*params->ip) : 0.5;
params->gamm = CBRT(params->qtot)/(2.0*params->aa);
}else{
params->aa = 0.5;
params->gamm = 1.0;
}
}
void
XC(gga_lb_modified)(const XC(func_type) *func, int np, const FLOAT *rho, const FLOAT *sigma, FLOAT r, FLOAT *vrho)
{
int ip, is, is2;
FLOAT ds, gdm, x, sfact, sfact2;
XC(gga_x_lb_params) *params;
assert(func != NULL);
assert(func->params != NULL);
params = (XC(gga_x_lb_params) *) (func->params);
XC(lda_vxc)(func->func_aux[0], np, rho, vrho);
sfact = (func->nspin == XC_POLARIZED) ? 1.0 : 2.0;
sfact2 = sfact*sfact;
for(ip=0; ipnspin; is++){
is2 = 2*is;
vrho[is] *= params->alpha;
gdm = max(SQRT(sigma[is2])/sfact, func->info->min_grad);
ds = rho[is]/sfact;
if(params->modified == 0 ||
(ds > params->threshold && gdm > params->threshold)){
FLOAT f;
if(ds <= func->info->min_dens) continue;
x = gdm/POW(ds, 4.0/3.0);
if(x < 300.0) /* the actual functional */
f = -params->beta*x*x/(1.0 + 3.0*params->beta*x*ASINH(params->gamm*x));
else /* asymptotic expansion */
f = -x/(3.0*LOG(2.0*params->gamm*x));
vrho[is] += f * CBRT(ds);
}else if(r > 0.0){
/* the aymptotic expansion of LB94 */
x = r + (3.0/params->aa)*
LOG(2.0*params->gamm * params->aa * 1.0 / CBRT(params->qtot));
/* x = x + POW(qtot*EXP(-aa*r), 1.0/3.0)/(beta*aa*aa); */
vrho[is] -= 1.0/x;
}
}
/* increment pointers */
rho += func->n_rho;
sigma += func->n_sigma;
if(vrho != NULL)
vrho += func->n_vrho;
} /* ip loop */
}
static void
gga_x_lb(const XC(func_type) *p, int np, const FLOAT *rho, const FLOAT *sigma,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma,
FLOAT *v2rho2, FLOAT *v2rhosigma, FLOAT *v2sigma2,
FLOAT *v3rho3, FLOAT *v3rho2sigma, FLOAT *v3rhosigma2, FLOAT *v3sigma3)
{
XC(gga_lb_modified)(p, np, rho, sigma, 0.0, vrho);
}
XC(func_info_type) XC(func_info_gga_x_lb) = {
XC_GGA_X_LB,
XC_EXCHANGE,
"van Leeuwen & Baerends",
XC_FAMILY_GGA,
"R van Leeuwen and EJ Baerends, Phys. Rev. A. 49, 2421 (1994)",
XC_FLAGS_3D | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_lb_init,
NULL,
NULL,
gga_x_lb,
NULL
};
XC(func_info_type) XC(func_info_gga_x_lbm) = {
XC_GGA_X_LBM,
XC_EXCHANGE,
"van Leeuwen & Baerends modified",
XC_FAMILY_GGA,
"PRT Schipper, OV Gritsenko, SJA van Gisbergen, and EJ Baerends, J. Chem. Phys. 112, 1344 (2000)\n"
"R van Leeuwen and EJ Baerends, Phys. Rev. A. 49, 2421 (1994)",
XC_FLAGS_3D | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_lb_init,
NULL,
NULL,
gga_x_lb,
NULL
};
libxc-2.1.2/src/gga_c_wl.c 0000664 0001750 0001750 00000005514 12471363260 012246 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_C_WL 147 /* Wilson & Levy */
static inline void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
const FLOAT a=-0.74860, b=0.06001, c=3.60073, d=0.90000;
FLOAT aux, num, den;
if(1.0 - ABS(r->zeta) >= p->info->min_zeta){
aux = SQRT(1.0 - r->zeta*r->zeta);
num = a + b*r->xt;
den = c + d*(r->xs[0] + r->xs[1]) + r->rs;
r->f = aux * num/den;
}else
r->f = 0.0;
if(r->order < 1) return;
if(1.0 - ABS(r->zeta) >= p->info->min_zeta){
r->dfdrs = -r->f/den;
r->dfdz = -r->zeta/aux * num/den;
r->dfdxt = b*aux/den;
r->dfdxs[0] = -d*r->f/den;
r->dfdxs[1] = r->dfdxs[0];
}else{
r->dfdrs = r->dfdz = r->dfdxt = 0.0;
r->dfdxs[0] = r->dfdxs[1] = 0.0;
}
if(r->order < 2) return;
if(1.0 - ABS(r->zeta) >= p->info->min_zeta){
r->d2fdrs2 = -2.0*(r->dfdrs)/den;
r->d2fdrsz = r->zeta/aux * num/(den*den);
r->d2fdrsxt = -b*aux/(den*den);
r->d2fdrsxs[0] = -2.0*d*(r->dfdrs)/den;
r->d2fdrsxs[1] = r->d2fdrsxs[0];
r->d2fdz2 = -num/(den*aux*aux*aux);
r->d2fdzxt = -r->zeta/aux * b/den;
r->d2fdzxs[0] = r->zeta/aux * d*num/(den*den);
r->d2fdzxs[1] = r->d2fdzxs[0];
r->d2fdxt2 = 0.0;
r->d2fdxtxs[0] = -b*d*aux/(den*den);
r->d2fdxtxs[1] = r->d2fdxtxs[0];
r->d2fdxs2[0] = -2.0*d*r->dfdxs[0]/den;
r->d2fdxs2[1] = r->d2fdxs2[0];
r->d2fdxs2[2] = r->d2fdxs2[0];
}else{
r->d2fdrs2 = r->d2fdrsz = r->d2fdrsxt = r->d2fdrsxs[0] = r->d2fdrsxs[1] = 0.0;
r->d2fdz2 = r->d2fdzxt = r->d2fdzxs[0] = r->d2fdzxs[1] = 0.0;
r->d2fdxt2 = r->d2fdxtxs[0] = r->d2fdxtxs[1] = 0.0;
r->d2fdxs2[0] = r->d2fdxs2[1] = r->d2fdxs2[2] = 0.0;
}
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_wl) = {
XC_GGA_C_WL,
XC_CORRELATION,
"Wilson & Levy",
XC_FAMILY_GGA,
"LC Wilson and M Levy, Phys. Rev. B 41, 12930 (1990)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/util.h 0000664 0001750 0001750 00000031600 12471363260 011461 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#ifndef _LDA_H
#define _LDA_H
#include
#include
#include "xc.h"
/* xc_config.h needs to be included to use FLOAT and related macros*/
#include "xc_config.h"
/* If strict ANSI, then some useful macros are not defined */
#if defined(__STRICT_ANSI__)
# define M_E 2.7182818284590452354 /* e */
# define M_PI 3.14159265358979323846 /* pi */
# define M_SQRT2 1.41421356237309504880 /* sqrt(2) */
double asinh (double x);
float asinhf(float x);
#endif
#define M_SQRTPI 1.772453850905516027298167483341145182798L
#define M_SQRT3 1.732050807568877293527446341505872366943L
#define M_CBRT2 1.259921049894873164767210607278228350570L
#define M_CBRT3 1.442249570307408382321638310780109588392L
#define M_CBRT4 1.587401051968199474751705639272308260391L
#define M_CBRT5 1.709975946676696989353108872543860109868L
#define M_CBRT6 1.817120592832139658891211756327260502428L
#define M_CBRT7 1.912931182772389101199116839548760282862L
#define M_CBRT9 2.080083823051904114530056824357885386338L
/* Very useful macros */
#define min(x,y) ((x=0; i--){
b2 = b1;
b1 = b0;
b0 = twox*b1 - b2 + cs[i];
}
return 0.5*(b0 - b2);
}
FLOAT XC(bessel_I0_scaled)(const FLOAT x);
FLOAT XC(bessel_I0)(const FLOAT x);
FLOAT XC(bessel_K0_scaled)(const FLOAT x);
FLOAT XC(bessel_K0)(const FLOAT x);
FLOAT XC(bessel_K1_scaled)(const FLOAT x);
FLOAT XC(bessel_K1)(const FLOAT x);
FLOAT XC(expint_e1_impl)(const FLOAT x, const int scale);
static inline FLOAT expint_e1(const FLOAT x) { return XC(expint_e1_impl)( x, 0); }
static inline FLOAT expint_e1_scaled(const FLOAT x) { return XC(expint_e1_impl)( x, 1); }
static inline FLOAT expint_Ei(const FLOAT x) { return -XC(expint_e1_impl)(-x, 0); }
static inline FLOAT expint_Ei_scaled(const FLOAT x) { return -XC(expint_e1_impl)(-x, 1); }
/* integration */
typedef void integr_fn(FLOAT *x, int n, void *ex);
FLOAT XC(integrate)(integr_fn func, void *ex, FLOAT a, FLOAT b);
void XC(rdqagse)(integr_fn f, void *ex, FLOAT *a, FLOAT *b,
FLOAT *epsabs, FLOAT *epsrel, int *limit, FLOAT *result,
FLOAT *abserr, int *neval, int *ier, FLOAT *alist__,
FLOAT *blist, FLOAT *rlist, FLOAT *elist, int *iord, int *last);
typedef struct XC(functional_key_t) {
char name[256];
int number;
} XC(functional_key_t);
#define M_C 137.0359996287515 /* speed of light */
#define RS_FACTOR 0.6203504908994000166680068120477781673508 /* (3/(4*Pi))^1/3 */
#define X_FACTOR_C 0.9305257363491000250020102180716672510262 /* 3/8*cur(3/pi)*4^(2/3) */
#define X_FACTOR_2D_C 1.504505556127350098528211870828726895584 /* 8/(3*sqrt(pi)) */
#define K_FACTOR_C 4.557799872345597137288163759599305358515 /* 3/10*(6*pi^2)^(2/3) */
#define X2S 0.1282782438530421943003109254455883701296 /* 1/(2*(6*pi^2)^(1/3)) */
#define X2S_2D 0.1410473958869390717370198628901931464610 /* 1/(2*(4*pi)^(1/2)) */
#define FZETAFACTOR 0.5198420997897463295344212145564567011405 /* 2^(4/3) - 2 */
#define RS(x) (RS_FACTOR/CBRT(x))
#define FZETA(x) ((POW(1.0 + (x), 4.0/3.0) + POW(1.0 - (x), 4.0/3.0) - 2.0)/FZETAFACTOR)
#define DFZETA(x) ((CBRT(1.0 + (x)) - CBRT(1.0 - (x)))*(4.0/3.0)/FZETAFACTOR)
#define D2FZETA(x) ((4.0/9.0)/FZETAFACTOR)* \
(ABS(x)==1.0 ? (FLT_MAX) : (pow(1.0 + (x), -2.0/3.0) + pow(1.0 - (x), -2.0/3.0)))
#define D3FZETA(x) (-(8.0/27.0)/FZETAFACTOR)* \
(ABS(x)==1.0 ? (FLT_MAX) : (pow(1.0 + (x), -5.0/3.0) - pow(1.0 - (x), -5.0/3.0)))
#define MIN_DENS 5.0e-13
#define MIN_GRAD 5.0e-13
#define MIN_TAU 5.0e-13
#define MIN_ZETA 5.0e-13
/* The following inlines confuse the xlc compiler */
void XC(rho2dzeta)(int nspin, const FLOAT *rho, FLOAT *d, FLOAT *zeta);
void XC(fast_fzeta)(const FLOAT x, const int nspin, const int order, FLOAT * fz);
void XC(mix_init)(XC(func_type) *p, int n_funcs, const int *funcs_id, const FLOAT *mix_coef);
/* LDAs */
typedef struct XC(lda_work_t) {
int order; /* to which order should I return the derivatives */
FLOAT rs[3], zeta;
FLOAT zk;
FLOAT dedrs, dedz; /* first derivatives of zk */
FLOAT d2edrs2, d2edrsz, d2edz2; /* second derivatives of zk */
FLOAT d3edrs3, d3edrs2z, d3edrsz2, d3edz3; /* third derivatives of zk */
} XC(lda_work_t);
void XC(lda_fxc_fd)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *fxc);
void XC(lda_kxc_fd)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *kxc);
/* the different possibilities for screening the interaction */
#define XC_RSF_ERF 0
#define XC_RSF_ERF_GAU 1
#define XC_RSF_YUKAWA 2
void XC(lda_x_attenuation_function)(int interaction, int order, FLOAT aa, FLOAT *f, FLOAT *df, FLOAT *d2f, FLOAT *d3f);
void XC(lda_stoll)(const XC(func_type) *pw, FLOAT dens, FLOAT zeta, int order, XC(lda_work_t) res[3]);
/* direct access to the internal functions */
void XC(lda_c_hl_func) (const XC(func_type) *p, XC(lda_work_t) *r);
void XC(lda_c_pw_func) (const XC(func_type) *p, XC(lda_work_t) *r);
void XC(lda_c_pz_func) (const XC(func_type) *p, XC(lda_work_t) *r);
void XC(lda_c_rc04_func)(const XC(func_type) *p, XC(lda_work_t) *r);
void XC(lda_c_2d_amgb_func)(const XC(func_type) *p, XC(lda_work_t) *r);
/* GGAs */
void work_gga_becke_init(XC(func_type) *p);
/* exchange enhancement factors: if you add one, please add it also to the util.c */
typedef void(*xc_gga_enhancement_t)(const XC(func_type) *, int, FLOAT, FLOAT *, FLOAT *, FLOAT *, FLOAT *);
xc_gga_enhancement_t XC(get_gga_enhancement_factor)(int func_id);
void XC(gga_x_wc_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_pbe_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_pw91_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_rpbe_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_htbs_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_b86_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_b86_mgc_enhance)(const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_b88_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_g96_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_pw86_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_airy_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_ak13_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_bayesian_enhance)(const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_bpccac_enhance)(const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_c09x_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_am05_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_dk87_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_herman_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_lg93_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_lv_rpw86_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_mpbe_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_optx_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_sogga11_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_ssb_sw_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
void XC(gga_x_vmt_enhance) (const XC(func_type) *p, int order, FLOAT x, FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3);
/* correlation functions */
typedef struct XC(gga_work_c_t) {
int order; /* to which order should I return the derivatives */
FLOAT dens, ds[2], sigmat, sigmas[3];
FLOAT rs, zeta, xt, xs[2];
FLOAT f;
FLOAT dfdrs, dfdz, dfdxt, dfdxs[2];
FLOAT d2fdrs2, d2fdrsz, d2fdrsxt, d2fdrsxs[2], d2fdz2,
d2fdzxt, d2fdzxs[2], d2fdxt2, d2fdxtxs[2], d2fdxs2[3];
FLOAT d3fdrs3, d3fdz3, d3fdxt3, d3fdxs3[4]; /* uuu, uud, udd, ddd */
FLOAT d3fdrs2z, d3fdrs2xt, d3fdrs2xs[2];
FLOAT d3fdrsz2, d3fdz2xt, d3fdz2xs[2];
FLOAT d3fdrsxt2, d3fdzxt2, d3fdxt2xs[2];
FLOAT d3fdrsxs2[3], d3fdzxs2[3],d3fdxtxs2[3];
FLOAT d3fdrszxt, d3fdrszxs[2], d3fdrsxtxs[2], d3fdzxtxs[2];
} XC(gga_work_c_t);
void XC(gga_c_pw91_func)(const XC(func_type) *p, XC(gga_work_c_t) *r);
void XC(gga_c_pbe_func) (const XC(func_type) *p, XC(gga_work_c_t) *r);
void XC(gga_c_q2d_func) (const XC(func_type) *p, XC(gga_work_c_t) *r);
/* meta GGAs */
typedef struct XC(mgga_work_x_t) {
int order; /* to which order should I return the derivatives */
FLOAT rs, zeta, x, t, u;
FLOAT f; /* enhancement factor */
FLOAT dfdrs, dfdx, dfdt, dfdu; /* first derivatives of f */
FLOAT d2fdrs2, d2fdx2, d2fdt2, d2fdu2; /* second derivatives of zk */
FLOAT d2fdrsx, d2fdrst, d2fdrsu, d2fdxt, d2fdxu, d2fdtu;
} XC(mgga_work_x_t);
typedef struct XC(mgga_work_c_t) {
int order; /* to which order should I return the derivatives */
FLOAT dens, ds[2], sigmat, sigmas[3];
FLOAT rs, zeta, xt, xs[2], ts[2], us[2];
FLOAT f;
FLOAT dfdrs, dfdz, dfdxt, dfdxs[2], dfdts[2], dfdus[2];
FLOAT d2fdrs2, d2fdrsz, d2fdrsxt, d2fdrsxs[2], d2fdrsts[2], d2fdrsus[2];
FLOAT d2fdz2, d2fdzxt, d2fdzxs[2], d2fdzts[2], d2fdzus[2];
FLOAT d2fdxt2, d2fdxtxs[2], d2fdxtts[2], d2fdxtus[2];
FLOAT d2fdxs2[3], d2fxsts[4], d2fxsus[4];
FLOAT d2dts2[3], d2fdtsus[4];
FLOAT d2fdus2[3];
} XC(mgga_work_c_t);
void XC(pbe_c_stoll) (const XC(func_type) *pbe, int get_max, const XC(mgga_work_c_t) *in, XC(gga_work_c_t) out[3]);
void XC(mgga_series_w)(int order, int n, const FLOAT *a, FLOAT t, FLOAT *fw, FLOAT *dfwdt);
void XC(mgga_b97_func_g)(const FLOAT *cc, FLOAT gamma, FLOAT s, int order, FLOAT *g, FLOAT *dgds, FLOAT *d2gds2);
void XC(mgga_x_gvt4_func)(int order, FLOAT x, FLOAT z, FLOAT alpha, const FLOAT *d, FLOAT *h, FLOAT *dhdx, FLOAT *dhdz);
/* useful MACROS */
#define DFRACTION(num, dnum, den, dden) \
(((dnum)*(den) - (num)*(dden))/((den)*(den)))
#define D2FRACTION(num, dnum, d2num, den, dden, d2den) \
((2.0*(num)*(dden)*(dden) - 2.0*(den)*(dden)*(dnum) - (den)*(num)*(d2den) + (den)*(den)*(d2num))/((den)*(den)*(den)))
#define D3FRACTION(num, dnum, d2num, d3num, den, dden, d2den, d3den) \
((-(num)*(6.0*(dden)*(dden)*(dden) - 6.0*(den)*(dden)*(d2den) + (den)*(den)*(d3den)) + \
(den)*(6.0*(dden)*(dden)*(dnum) - 3.0*(den)*(dden)*(d2num) + (den)*(-3.0*(dnum)*(d2den) + (den)*(d3num))))/((den)*(den)*(den)*(den)))
#endif
libxc-2.1.2/src/gga_c_ft97.c 0000664 0001750 0001750 00000020667 12471363260 012423 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_C_FT97 88 /* Filatov & Thiel correlation */
static const FLOAT
C0 = 0.01554534543483, /* (1-ln2)/(2*Pi**2), see eq.(9) */
C1 = 0.02072712724644, /* 2*C0/3 , see eq.(13),(28),(33) */
C2 = RS_FACTOR, /* (3/(4*Pi))**1/3 , see eq.(8) */
C3 = 0.2067834969665; /* C2/3 */
static const FLOAT big = 1e4;
static void func_kssp0(FLOAT rs, int order, FLOAT *kssp0, FLOAT *dkssp0)
{
/* calculate kssp0(rs) Eq. (39) */
static FLOAT k0 = 1.291551074, k1 = 0.349064173, r1 = 0.083275880;
static const FLOAT KSSPBIG = 1.291551074 - 0.349064173;
FLOAT aux1, aux2;
if(rs > big)
*kssp0 = KSSPBIG;
else{
aux1 = POW(rs, 4.0/5.0);
aux2 = EXP(-r1*aux1);
*kssp0 = k0 - k1*(1.0 - aux2);
}
if(order < 1) return;
if(rs > big)
*dkssp0 = 0.0;
else
*dkssp0 = -4.0*r1*k1/5.0 * aux1/rs * aux2;
}
static void func_fssp(FLOAT rs, FLOAT gr, int order, FLOAT *fssp, FLOAT *dfsspdrs, FLOAT *dfsspdgr)
{
/* calculate fssp(rs, gr) Eq. (45) */
static const FLOAT A1=1.622118767, A2=0.489958076, A3=1.379021941;
FLOAT aux1, aux2, aux3;
aux1 = A2*A2*gr*gr;
if(aux1 > big)
*fssp = 0.0;
else{
aux2 = EXP(-aux1);
aux3 = SQRT(1.0 + A3*gr/rs);
*fssp = (1.0 + A1*gr + aux1)*aux2/aux3;
}
if(order < 1) return;
if(aux1 > big)
*dfsspdrs = *dfsspdgr = 0.0;
else{
*dfsspdrs = (*fssp)*A3*gr/(2.0*rs*(rs + A3*gr));
*dfsspdgr = aux2/aux3*(-(2.0*A2*A2*gr + A3/(2.0*rs*aux3*aux3))*(1.0 + A1*gr + aux1) + (A1 + 2.0*A2*A2*gr));
}
}
static void func_factor(FLOAT rs, int order, FLOAT *fa, FLOAT *dfa)
{
/* factor: see Eq. (34) */
static const FLOAT fa_a1 = 0.939016, fa_a2 = 1.733170;
FLOAT fa_den, fa_arg, dfa_den, dfa_arg;
fa_den = fa_a1*SQRT(rs) + fa_a2*rs;
fa_arg = rs/fa_den;
*fa = EXP(-fa_arg*fa_arg);
if(order < 1) return;
dfa_den = fa_a1/(2.0*SQRT(rs)) + fa_a2;
dfa_arg = (1.0 - rs*dfa_den/fa_den)/fa_den;
*dfa = -2.0*fa_arg*dfa_arg*(*fa);
}
static void func_kss0(FLOAT rs, int order, FLOAT *kss0, FLOAT *dkss0)
{
/* calculate kss0(rs) Eq. (40) */
static const FLOAT k0 = 1.200801774, k1 = 0.859614445, k2 = -0.812904345, r1 = 1.089338848, r2 = 0.655638823;
static const FLOAT KSS0BIG = 1.200801774 + 0.859614445 - 0.812904345;
FLOAT aux1, aux2, aux3;
if(rs > big){
*kss0 = KSS0BIG;
}else{
aux1 = POW(rs, 2.0/5.0);
aux2 = EXP(-r1*SQRT(rs));
aux3 = EXP(-r2*aux1);
*kss0 = k0 + k1*(1.0 - aux2) + k2*(1.0 - aux3);
}
if(order < 1) return;
if(rs > big)
*dkss0 = 0.0;
else
*dkss0 = k1*r1/(2.0*SQRT(rs))*aux2 + 2.0*k2*r2*aux1*aux3/(5.0*rs);
}
static void func_fss(FLOAT rs, FLOAT gr, int order, FLOAT *fss, FLOAT *dfssdrs, FLOAT *dfssdgr)
{
static const FLOAT A4 = 4.946281353, A5 = 3.600612059;
FLOAT aux1, aux2, aux3;
aux1 = A4*A4*gr*gr;
if(aux1 > big)
*fss = 0.0;
else{
aux2 = EXP(-aux1);
aux3 = SQRT(1.0 + A5*gr/rs);
*fss = (1.0 + aux1)*aux2/aux3;
}
if(order < 1) return;
if(aux1 > big)
*dfssdrs = *dfssdgr = 0.0;
else{
*dfssdrs = (*fss)*A5*gr/(2.0*rs*(rs + A5*gr));
*dfssdgr = aux2/aux3*(-(2.0*A4*A4*gr + A5/(2.0*rs*aux3*aux3))*(1.0 + aux1) + 2.0*A4*A4*gr);
}
}
static void func_eab(FLOAT mu, int order, FLOAT *eab, FLOAT *deabdmu)
{
FLOAT mu12, eei, eei1, ff_n, ff_d, ff, deeidmu, deei1dmu, dffdmu;
mu12 = SQRT(mu);
eei = expint_Ei_scaled(-mu);
eei1 = mu*eei + 1.0;
/* calculate approximate normalization, Eq. (15) */
ff_n = 3.0 + 2.0*(mu12 + mu);
ff_d = 3.0 + 6.0*(mu12 + mu);
ff = ff_n/ff_d;
/* eba : Correlation energy density, Eq. (19) */
*eab = C0*(eei + 2.0*ff*eei1);
if(order < 1) return;
deeidmu = eei + 1.0/mu;
deei1dmu = eei*(1.0 + mu) + 1.0;
dffdmu = (1.0 + 2.0*mu12)/(2.0*mu12*ff_d) * (2.0 - 6.0*ff_n/ff_d);
*deabdmu = C0*(deeidmu + 2.0*(dffdmu*eei1 + ff*deei1dmu));
}
static void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
/* numerical curoff for mu_aa, mu_ab, mu_ba, mu_bb, see Eqs.(13) and (33) */
static const FLOAT CUTOFF = 1.0e7;
static const FLOAT sign[2] = {1.0, -1.0};
int ispin;
FLOAT rsa, ga2, opz, opz13;
FLOAT kssp0, fssp, den_ba, mu_ba, e_ba;
FLOAT kss0, fss, den_aa, mu_aa, e_aa, fa;
FLOAT drsadrs, drsadzeta, dga2dxs;
FLOAT dkssp0, dfsspdrsa, dfsspdga2, dden_badrsa, dden_badga2, dmu_badrsa, dmu_badga2, de_badmu_ba;
FLOAT dkss0, dfssdrsa, dfssdga2, dden_aadrsa, dden_aadga2, dmu_aadrsa, dmu_aadga2, de_aadmu_aa, dfa;
r->f = 0.0;
if(r->order >= 1) r->dfdrs = r->dfdz = r->dfdxs[0] = r->dfdxs[1] = 0.0;
for(ispin=0; ispin<2; ispin++){
opz = 1.0 + sign[ispin]*r->zeta;
opz13 = CBRT(opz);
/* rs_alpha */
rsa = r->rs*M_CBRT2/opz13;
/* | grad rs_alpha |^2 */
ga2 = C3*C3 * r->xs[ispin]*r->xs[ispin];
/* mu(beta,alpha), Eq.(13) */
/* calculate kssp0(rsa) Eq. (39) */
func_kssp0(rsa, r->order, &kssp0, &dkssp0);
/* calculate fssp(rsa, ga2) Eq. (45) */
func_fssp(rsa, ga2, r->order, &fssp, &dfsspdrsa, &dfsspdga2);
/* calculate denominator */
den_ba = kssp0*kssp0*fssp*fssp;
if(C1*rsa <= den_ba*CUTOFF){
mu_ba = C1*rsa/den_ba;
func_eab(mu_ba, r->order, &e_ba, &de_badmu_ba);
r->f += e_ba*(1.0 - sign[ispin]*r->zeta)/2.0;
}
/* mu(alpha,alpha), Eq. (33) */
/* factor: see Eq. (34) */
func_factor(rsa, r->order, &fa, &dfa);
/* calculate kss0(rsa) Eq. (40) */
func_kss0(rsa, r->order, &kss0, &dkss0);
/* calculate fss(rsa, ga2) Eq. (45) */
func_fss(rsa, ga2, r->order, &fss, &dfssdrsa, &dfssdga2);
/* calculate denominator */
den_aa = kss0*kss0*fss*fss;
if(C1*rsa <= den_aa*CUTOFF){
mu_aa = C1*rsa/den_aa;
func_eab(mu_aa, r->order, &e_aa, &de_aadmu_aa);
r->f += e_aa*fa*(1.0 + sign[ispin]*r->zeta)/2.0;
}
if(r->order < 1) continue;
drsadrs = M_CBRT2/opz13;
drsadzeta = -r->rs*M_CBRT2*sign[ispin]/(3.0*opz*opz13);
dga2dxs = 2.0*C3*C3 * r->xs[ispin];
/* mu(beta,alpha), Eq.(13) */
/* calculate denominator */
dden_badrsa = 2.0*kssp0*fssp*(fssp*dkssp0 + dfsspdrsa*kssp0);
dden_badga2 = 2.0*kssp0*kssp0*fssp*dfsspdga2;
if(C1*rsa <= den_ba*CUTOFF){
dmu_badrsa = C1/den_ba *(1.0 - rsa*dden_badrsa/den_ba);
dmu_badga2 = -mu_ba*dden_badga2/den_ba;
r->dfdrs += de_badmu_ba*dmu_badrsa*drsadrs*(1.0 - sign[ispin]*r->zeta)/2.0;
r->dfdz += (de_badmu_ba*dmu_badrsa*drsadzeta*(1.0 - sign[ispin]*r->zeta) - e_ba*sign[ispin])/2.0;
r->dfdxs[ispin] += de_badmu_ba*dmu_badga2*dga2dxs*(1.0 - sign[ispin]*r->zeta)/2.0;
}
/* mu(alpha,alpha), Eq. (33) */
/* calculate denominator */
dden_aadrsa = 2.0*kss0*fss*(fss*dkss0 + dfssdrsa*kss0);
dden_aadga2 = 2.0*kss0*kss0*fss*dfssdga2;
if(C1*rsa <= den_aa*CUTOFF){
dmu_aadrsa = C1/den_aa *(1.0 - rsa*dden_aadrsa/den_aa);
dmu_aadga2 = -mu_aa*dden_aadga2/den_aa;
r->dfdrs += (de_aadmu_aa*dmu_aadrsa*fa + e_aa*dfa)* drsadrs*(1.0 + sign[ispin]*r->zeta)/2.0;
r->dfdz += (de_aadmu_aa*dmu_aadrsa*fa + e_aa*dfa)*drsadzeta*(1.0 + sign[ispin]*r->zeta)/2.0 + e_aa*fa*sign[ispin]/2.0;
r->dfdxs[ispin] += de_aadmu_aa*dmu_aadga2*dga2dxs*fa*(1.0 + sign[ispin]*r->zeta)/2.0;
}
} /* for ispin */
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_ft97) = {
XC_GGA_C_FT97,
XC_CORRELATION,
"Filatov & Thiel correlation",
XC_FAMILY_GGA,
"M Filatov & W Thiel, Int. J. Quant. Chem. 62, 603-616 (1997)\n"
"M Filatov & W Thiel, Mol Phys 91, 847 (1997)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL,
NULL,
NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/lda_c_hl.c 0000664 0001750 0001750 00000011414 12471363260 012225 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
/************************************************************************
L. Hedin and B.I. Lundqvist
O. Gunnarsson and B. I. Lundqvist
************************************************************************/
#define XC_LDA_C_HL 4 /* Hedin & Lundqvist */
#define XC_LDA_C_GL 5 /* Gunnarson & Lundqvist */
#define XC_LDA_C_vBH 17 /* von Barth & Hedin */
static void
hl_f(int func, int order, int i, FLOAT rs, FLOAT *zk, FLOAT *drs, FLOAT *d2rs, FLOAT *d3rs)
{
static const
FLOAT r[3][2] = {{21.0, 21.0}, /* HL unpolarized only*/
{11.4, 15.9}, /* GL */
{30, 75 }}; /* vBH */
static const
FLOAT c[3][2] = {{0.0225, 0.0225}, /* HL unpolarized only */
{0.0333, 0.0203}, /* GL */
{0.0252, 0.0127}}; /* vBH */
FLOAT a, x, x2, x3;
x = rs/r[func][i];
x2 = x*x;
x3 = x2*x;
a = LOG(1.0 + 1.0/x);
*zk = -c[func][i]*((1.0 + x3)*a - x2 + 0.5*x - 1.0/3.0);
if(order < 1) return;
*drs = 3.0*x*(x*a - 1) - 1/x + 3.0/2.0;
*drs *= -c[func][i]/r[func][i];
if(order < 2) return;
*d2rs = -3.0 + 1.0/x2 - 3.0*x/(1.0 + x) + 6.0*x*a;
*d2rs *= -c[func][i]/(r[func][i]*r[func][i]);
if(order < 3) return;
*d3rs = -2.0/x3 + 3.0*x/((1.0 + x)*(1.0 + x)) - 9.0/(1.0 + x) + 6.0*a;
*d3rs *= -c[func][i]/(r[func][i]*r[func][i]*r[func][i]);
}
void
XC(lda_c_hl_func)(const XC(func_type) *p, XC(lda_work_t) *r)
{
int func;
FLOAT ecp, vcp, fcp, kcp;
FLOAT ecf, vcf, fcf, kcf;
FLOAT fz, dfz, d2fz, d3fz;
switch(p->info->number){
case XC_LDA_C_GL: func = 1; break;
case XC_LDA_C_vBH: func = 2; break;
default: func = 0; /* original HL */
}
hl_f(func, r->order, 0, r->rs[1], &ecp, &vcp, &fcp, &kcp);
if(p->nspin == XC_UNPOLARIZED)
r->zk = ecp;
else{
/* get ferromagnetic values */
hl_f(func, r->order, 1, r->rs[1], &ecf, &vcf, &fcf, &kcf);
fz = FZETA(r->zeta);
r->zk = ecp + (ecf - ecp)*fz;
}
if(r->order < 1) return;
if(p->nspin == XC_UNPOLARIZED)
r->dedrs = vcp;
else{
dfz = DFZETA(r->zeta);
r->dedrs = vcp + (vcf - vcp)*fz;
r->dedz = (ecf - ecp)*dfz;
}
if(r->order < 2) return;
if(p->nspin == XC_UNPOLARIZED)
r->d2edrs2 = fcp;
else{
d2fz = D2FZETA(r->zeta);
r->d2edrs2 = fcp + (fcf - fcp)*fz;
r->d2edrsz = (vcf - vcp)*dfz;
r->d2edz2 = (ecf - ecp)*d2fz;
}
if(r->order < 3) return;
if(p->nspin == XC_UNPOLARIZED)
r->d3edrs3 = kcp;
else{
d3fz = D3FZETA(r->zeta);
r->d3edrs3 = kcp + (kcf - kcp)*fz;
r->d3edrs2z = (fcf - fcp)*dfz;
r->d3edrsz2 = (vcf - vcp)*d2fz;
r->d3edz3 = (ecf - ecp)*d3fz;
}
}
#define func XC(lda_c_hl_func)
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_hl) = {
XC_LDA_C_HL,
XC_CORRELATION,
"Hedin & Lundqvist",
XC_FAMILY_LDA,
/* can someone get me this paper, so I can find all coefficients? */
"L Hedin and BI Lundqvist, J. Phys. C 4, 2064 (1971)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-16, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_gl) = {
XC_LDA_C_GL,
XC_CORRELATION,
"Gunnarson & Lundqvist",
XC_FAMILY_LDA,
"O Gunnarsson and BI Lundqvist, PRB 13, 4274 (1976)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-12, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_vbh) = {
XC_LDA_C_vBH,
XC_CORRELATION,
"von Barth & Hedin",
XC_FAMILY_LDA,
"U von Barth and L Hedin, J. Phys. C: Solid State Phys. 5, 1629 (1972)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-14, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/xc_f.c 0000664 0001750 0001750 00000027100 12471363260 011416 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include
#include "config.h"
#ifdef HAVE_FORTRAN
#include "xc.h"
#include "string_f.h"
/* xc_config.h needs to be included to use FLOAT and related macros*/
#include "xc_config.h"
/* version */
void XC_FC_FUNC(f90_version, F90_VERSION)
(int *major, int *minor)
{
XC(version)(major, minor);
}
/* info */
CC_FORTRAN_INT XC_FC_FUNC(f90_info_number, F90_INFO_NUMBER)
(void **info)
{
return (CC_FORTRAN_INT) ((XC(func_info_type) *)(*info))->number;
}
CC_FORTRAN_INT XC_FC_FUNC(f90_info_kind, F90_INFO_KIND)
(void **info)
{
return (CC_FORTRAN_INT) ((XC(func_info_type) *)(*info))->kind;
}
void XC_FC_FUNC(f90_info_name, F90_INFO_NAME)
(void **info, STR_F_TYPE s STR_ARG1)
{
TO_F_STR1(((XC(func_info_type) *)(*info))->name, s);
}
CC_FORTRAN_INT XC_FC_FUNC(f90_info_family, F90_INFO_FAMILY)
(void **info)
{
return (CC_FORTRAN_INT) ((XC(func_info_type) *)(*info))->family;
}
CC_FORTRAN_INT XC_FC_FUNC(f90_info_flags, F90_INFO_FLAGS)
(void **info)
{
return (CC_FORTRAN_INT) ((XC(func_info_type) *)(*info))->flags;
}
void XC_FC_FUNC(f90_info_refs, F90_INFO_REFS)
(void **info, CC_FORTRAN_INT *number, char **s, STR_F_TYPE ref_f STR_ARG1)
{
char *c, ref[256]; /* hopefully no ref is longer than 256 characters ;) */
XC(func_info_type) *func_p = (XC(func_info_type) *)(*info);
if(*number == 0) *s = func_p->refs;
if(*s == NULL || **s == '\0'){
*number = -1;
return;
}
for(c=ref; **s!='\0' && **s!='\n'; (*s)++, c++)
*c = **s;
*c = '\0';
if(**s=='\n') (*s)++;
TO_F_STR1(ref, ref_f);
(*number)++;
fflush(stdout);
}
void XC_FC_FUNC(f90_functional_get_name, F90_FUNCTIONAL_GET_NAME)
(CC_FORTRAN_INT *func_number, STR_F_TYPE func_string STR_ARG1)
{
char *name;
name = XC(functional_get_name)(*func_number);
if ( name == NULL ) name = strdup("unknown");
TO_F_STR1(name, func_string);
free(name);
}
CC_FORTRAN_INT XC_FC_FUNC(f90_functional_get_number, F90_FUNCTIONAL_GET_NUMBER)
(STR_F_TYPE func_string STR_ARG1)
{
char *name;
int ret;
TO_C_STR1(func_string, name);
ret = XC(functional_get_number)(name);
free(name);
return (CC_FORTRAN_INT) ret;
}
/* functionals */
CC_FORTRAN_INT XC_FC_FUNC(f90_family_from_id, F90_FAMILY_FROM_ID)
(CC_FORTRAN_INT *functional)
{
return (CC_FORTRAN_INT) XC(family_from_id)((int) (*functional), NULL, NULL);
}
/* Standard initialization */
void XC_FC_FUNC(f90_func_init, F90_FUNC_INIT)
(void **p, void **info, CC_FORTRAN_INT *functional, CC_FORTRAN_INT *nspin)
{
XC(func_type) *func_p;
func_p = (XC(func_type) *)malloc(sizeof(XC(func_type)));
XC(func_init)(func_p, (int) (*functional), (int) (*nspin));
*p = (void *) func_p;
*info = (void *)(func_p->info);
}
void XC_FC_FUNC(f90_func_end, F90_FUNC_END)
(void **p)
{
XC(func_end)((XC(func_type) *)(*p));
free(*p);
*p = NULL;
}
/* LDAs */
void XC_FC_FUNC(f90_lda, F90_LDA)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho,
FLOAT *zk, FLOAT *vrho, FLOAT *v2rho2, FLOAT *v3rho3)
{
XC(lda)((XC(func_type) *)(*p), *np, rho, zk, vrho, v2rho2, v3rho3);
}
void XC_FC_FUNC(f90_lda_exc, F90_LDA_EXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho,
FLOAT *zk)
{
XC(lda)((XC(func_type) *)(*p), *np, rho, zk, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_lda_exc_vxc, F90_LDA_EXC_VXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho,
FLOAT *zk, FLOAT *vrho)
{
XC(lda)((XC(func_type) *)(*p), *np, rho, zk, vrho, NULL, NULL);
}
void XC_FC_FUNC(f90_lda_vxc, F90_LDA_VXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho,
FLOAT *vrho)
{
XC(lda)((XC(func_type) *)(*p), *np, rho, NULL, vrho, NULL, NULL);
}
void XC_FC_FUNC(f90_lda_fxc, F90_LDA_FXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho,
FLOAT *v2rho2)
{
XC(lda)((XC(func_type) *)(*p), *np, rho, NULL, NULL, v2rho2, NULL);
}
void XC_FC_FUNC(f90_lda_kxc, F90_LDA_KXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho,
FLOAT *v3rho3)
{
XC(lda)((XC(func_type) *)(*p), *np, rho, NULL, NULL, NULL, v3rho3);
}
/* Now come some special initializations */
/* parameter of LDA_1D */
void XC_FC_FUNC(f90_lda_x_1d_set_par, F90_LDA_X_1D_SET_PAR)
(void **p, CC_FORTRAN_INT *interaction, FLOAT *bb)
{
XC(lda_x_1d_set_params)((XC(func_type) *)(*p), *interaction, *bb);
}
/* parameter of Xalpha */
void XC_FC_FUNC(f90_lda_c_xalpha_set_par, F90_LDA_C_XALPHA_SET_PAR)
(void **p, FLOAT *alpha)
{
XC(lda_c_xalpha_set_params)((XC(func_type) *)(*p), *alpha);
}
/* relativistic option of LDA_X */
void XC_FC_FUNC(f90_lda_x_set_par, F90_LDA_X_SET_PAR)
(void **p, FLOAT *alpha, CC_FORTRAN_INT *relativistic, FLOAT *omega)
{
XC(lda_x_set_params)((XC(func_type) *)(*p), *alpha, *relativistic, *omega);
}
/* parameter of CSC */
void XC_FC_FUNC(f90_lda_c_1d_csc_set_par, F90_LDA_C_1D_CSC_SET_PAR)
(void **p, CC_FORTRAN_INT *interaction, FLOAT *bb)
{
XC(lda_c_1d_csc_set_params)((XC(func_type) *)(*p), *interaction, *bb);
}
/* parameter of PRM */
void XC_FC_FUNC(f90_lda_c_2d_prm_set_par, F90_LDA_C_2D_PRM_SET_PAR)
(void **p, FLOAT *N)
{
XC(lda_c_2d_prm_set_params)((XC(func_type) *)(*p), *N);
}
/* GGAs */
void XC_FC_FUNC(f90_gga, F90_GGA)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma,
FLOAT *v2rho2, FLOAT *v2rhosigma, FLOAT *v2sigma2,
FLOAT *v3rho3, FLOAT *v3rho2sigma, FLOAT *v3rhosigma2, FLOAT *v3sigma3)
{
XC(gga)((XC(func_type) *)(*p), *np, rho, sigma, zk, vrho, vsigma,
v2rho2, v2rhosigma, v2sigma2, v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3);
}
void XC_FC_FUNC(f90_gga_exc, F90_GGA_EXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma,
FLOAT *zk)
{
XC(gga)((XC(func_type) *)(*p), *np, rho, sigma, zk, NULL, NULL,
NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_gga_exc_vxc, F90_GGA_EXC_VXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma)
{
XC(gga)((XC(func_type) *)(*p), *np, rho, sigma, zk, vrho, vsigma,
NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_gga_vxc, F90_GGA_VXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma,
FLOAT *vrho, FLOAT *vsigma)
{
XC(gga)((XC(func_type) *)(*p), *np, rho, sigma, NULL, vrho, vsigma,
NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_gga_fxc, F90_GGA_FXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma,
FLOAT *v2rho2, FLOAT *v2rhosigma, FLOAT *v2sigma2)
{
XC(gga)((XC(func_type) *)(*p), *np, rho, sigma, NULL, NULL, NULL,
v2rho2, v2rhosigma, v2sigma2, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_gga_kxc, F90_GGA_KXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma,
FLOAT *v3rho3, FLOAT *v3rho2sigma, FLOAT *v3rhosigma2, FLOAT *v3sigma3)
{
XC(gga)((XC(func_type) *)(*p), *np, rho, sigma, NULL, NULL, NULL,
NULL, NULL, NULL, v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3);
}
/* the van Leeuwen & Baerends functional is special */
void XC_FC_FUNC(f90_gga_lb_set_par, F90_GGA_LB_SET_PAR)
(void **p, CC_FORTRAN_INT *modified, FLOAT *threshold, FLOAT *ip, FLOAT *qtot)
{
XC(gga_lb_set_params)((XC(func_type) *)(*p), *modified, *threshold, *ip, *qtot);
}
void XC_FC_FUNC(f90_gga_lb_modified, F90_GGA_LB_MODIFIED)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma, FLOAT *r, FLOAT *vrho)
{
XC(gga_lb_modified)((XC(func_type) *)(*p), *np, rho, sigma, *r, vrho);
}
void XC_FC_FUNC(f90_gga_x_wpbeh_set_par, F90_GGA_X_WPBEH_SET_PAR)
(void **p, FLOAT *omega)
{
XC(gga_x_wpbeh_set_params)((XC(func_type) *)(*p), *omega);
}
void XC_FC_FUNC(f90_gga_x_hjs_set_par, F90_GGA_X_HJS_SET_PAR)
(void **p, FLOAT *omega)
{
XC(gga_x_hjs_set_params)((XC(func_type) *)(*p), *omega);
}
void XC_FC_FUNC(f90_gga_ak13_get_asymptotic, F90_GGA_AK13_GET_ASYMPTOTIC)
(FLOAT *homo, FLOAT *asymp)
{
*asymp = XC(gga_ak13_get_asymptotic)(*homo);
}
void XC_FC_FUNC(f90_hyb_exx_coef, F90_HYB_EXX_COEF)
(void **p, FLOAT *coef)
{
*coef = XC(hyb_exx_coef)((XC(func_type) *)(*p));
}
void XC_FC_FUNC(f90_hyb_cam_coef, F90_HYB_CAM_COEF)
(void **p, FLOAT *omega, FLOAT *alpha, FLOAT *beta)
{
XC(hyb_cam_coef)((XC(func_type) *)(*p), omega, alpha, beta);
}
void XC_FC_FUNC(f90_hyb_gga_xc_hse_set_par, F90_HYB_GGA_XC_HSE_SET_PAR)
(void **p, FLOAT *beta, FLOAT *omega)
{
XC(hyb_gga_xc_hse_set_params)((XC(func_type) *)(*p), *beta, *omega);
}
void XC_FC_FUNC(f90_hyb_gga_xc_pbeh_set_par, F90_HYB_GGA_XC_PBEH_SET_PAR)
(void **p, FLOAT *alpha)
{
XC(hyb_gga_xc_pbeh_set_params)((XC(func_type) *)(*p), *alpha);
}
/* meta-GGAs */
void XC_FC_FUNC(f90_mgga, F90_MGGA)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma, FLOAT *lapl, FLOAT *tau,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma, FLOAT *vlapl, FLOAT *vtau,
FLOAT *v2rho2, FLOAT *v2sigma2, FLOAT *v2lapl2, FLOAT *v2tau2,
FLOAT *v2rhosigma, FLOAT *v2rholapl, FLOAT *v2rhotau,
FLOAT *v2sigmalapl, FLOAT *v2sigmatau, FLOAT *v2lapltau)
{
XC(mgga)((XC(func_type) *)(*p), *np, rho, sigma, lapl, tau,
zk, vrho, vsigma, vlapl, vtau,
v2rho2, v2sigma2, v2lapl2, v2tau2, v2rhosigma, v2rholapl, v2rhotau,
v2sigmalapl, v2sigmatau, v2lapltau);
}
void XC_FC_FUNC(f90_mgga_exc, F90_MGGA_EXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma, FLOAT *lapl, FLOAT *tau,
FLOAT *zk)
{
XC(mgga)((XC(func_type) *)(*p), *np, rho, sigma, lapl, tau,
zk, NULL, NULL, NULL, NULL,
NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_mgga_exc_vxc, F90_MGGA_EXC_VXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma, FLOAT *lapl, FLOAT *tau,
FLOAT *zk, FLOAT *vrho, FLOAT *vsigma, FLOAT *vlapl, FLOAT *vtau)
{
XC(mgga)((XC(func_type) *)(*p), *np, rho, sigma, lapl, tau,
zk, vrho, vsigma, vlapl, vtau,
NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_mgga_vxc, F90_MGGA_VXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma, FLOAT *lapl, FLOAT *tau,
FLOAT *vrho, FLOAT *vsigma, FLOAT *vlapl, FLOAT *vtau)
{
XC(mgga)((XC(func_type) *)(*p), *np, rho, sigma, lapl, tau,
NULL, vrho, vsigma, vlapl, vtau,
NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL);
}
void XC_FC_FUNC(f90_mgga_fxc, F90_MGGA_FXC)
(void **p, CC_FORTRAN_INT *np, FLOAT *rho, FLOAT *sigma, FLOAT *lapl, FLOAT *tau,
FLOAT *v2rho2, FLOAT *v2sigma2, FLOAT *v2lapl2, FLOAT *v2tau2,
FLOAT *v2rhosigma, FLOAT *v2rholapl, FLOAT *v2rhotau,
FLOAT *v2sigmalapl, FLOAT *v2sigmatau, FLOAT *v2lapltau)
{
XC(mgga)((XC(func_type) *)(*p), *np, rho, sigma, lapl, tau,
NULL, NULL, NULL, NULL, NULL,
v2rho2, v2sigma2, v2lapl2, v2tau2, v2rhosigma, v2rholapl, v2rhotau,
v2sigmalapl, v2sigmatau, v2lapltau);
}
/* parameter of TP09 */
void XC_FC_FUNC(f90_mgga_x_tb09_set_par, F90_MGGA_X_TB09_SET_PAR)
(void **p, FLOAT *cc)
{
XC(mgga_x_tb09_set_params)((XC(func_type) *)(*p), *cc);
}
#endif
libxc-2.1.2/src/gga_x_g96.c 0000664 0001750 0001750 00000003271 12471363260 012254 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_G96 107 /* Gill 96 */
void
XC(gga_x_g96_enhance)(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const FLOAT c1 = 1.0/137.0;
FLOAT sx = SQRT(x);
*f = 1.0 + c1/X_FACTOR_C*x*sx;
if(order < 1) return;
*dfdx = 3.0*c1/(2.0*X_FACTOR_C)*sx;
if(order < 2) return;
*d2fdx2 = 3.0*c1/(4.0*X_FACTOR_C*sx);
if(order < 2) return;
*d3fdx3 = -3.0*c1/(8.0*X_FACTOR_C*x*sx);
}
#define func XC(gga_x_g96_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_g96) = {
XC_GGA_X_G96,
XC_EXCHANGE,
"Gill 96",
XC_FAMILY_GGA,
"PMW Gill, Mol. Phys. 89, 433 (1996)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/mgga_x_m06l.c 0000664 0001750 0001750 00000012520 12471363260 012577 0000000 0000000 /*
Copyright (C) 2008 Lara Ferrigni, Georg Madsen, M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_M06_L 203 /* M06-Local functional of Minnesota */
#define XC_MGGA_X_M06_HF 216 /* M06-HF functional of Minnesota */
#define XC_MGGA_X_M06 217 /* M06 functional of Minnesota */
static const FLOAT a_m06l[12] = {
0.3987756, 0.2548219, 0.3923994, -2.103655, -6.302147, 10.97615,
30.97273, -23.18489, -56.73480, 21.60364, 34.21814, -9.049762
};
static const FLOAT d_m06l[6] = {0.6012244, 0.004748822, -0.008635108, -0.000009308062, 0.00004482811, 0.0};
static const FLOAT a_m06hf[12] = {
1.179732e-01, -1.066708e+00, -1.462405e-01, 7.481848e+00, 3.776679e+00, -4.436118e+01,
-1.830962e+01, 1.003903e+02, 3.864360e+01, -9.806018e+01, -2.557716e+01, 3.590404e+01
};
static const FLOAT d_m06hf[6] = {-1.179732e-01, -2.500000e-03, -1.180065e-02, 0.0, 0.0, 0.0};
static const FLOAT a_m06[12] = {
5.877943e-01, -1.371776e-01, 2.682367e-01, -2.515898e+00, -2.978892e+00, 8.710679e+00,
1.688195e+01, -4.489724e+00, -3.299983e+01, -1.449050e+01, 2.043747e+01, 1.256504e+01
};
static const FLOAT d_m06[6] = {1.422057e-01, 7.370319e-04, -1.601373e-02, 0.0, 0.0, 0.0};
typedef struct{
const FLOAT *a, *d;
} mgga_x_m06l_params;
static void
mgga_x_m06l_init(XC(func_type) *p)
{
mgga_x_m06l_params *params;
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(mgga_x_m06l_params));
params = (mgga_x_m06l_params *)p->params;
switch(p->info->number){
case XC_MGGA_X_M06_L:
params->a = a_m06l;
params->d = d_m06l;
break;
case XC_MGGA_X_M06_HF:
params->a = a_m06hf;
params->d = d_m06hf;
break;
case XC_MGGA_X_M06:
params->a = a_m06;
params->d = d_m06;
break;
default:
fprintf(stderr, "Internal error in mgga_x_m06l\n");
exit(1);
}
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(sizeof(XC(func_type) *)*p->n_func_aux);
p->func_aux[0] = (XC(func_type) *) malloc(sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_GGA_X_PBE, p->nspin);
}
/* Eq. (8) */
void
XC(mgga_series_w)(int order, int n, const FLOAT *a, FLOAT t, FLOAT *fw, FLOAT *dfwdt)
{
FLOAT w, w_den, wp;
int i;
w_den = K_FACTOR_C + t;
w = (K_FACTOR_C - t)/w_den;
*fw = 0.0;
if(order>0) *dfwdt = 0.0;
wp = 1.0;
for(i=0; i0) *dfwdt += i*a[i]*wp;
wp *= w;
}
if (order>0){
*dfwdt /= w;
*dfwdt *= -2.0*K_FACTOR_C/(w_den*w_den);
}
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
const FLOAT alpha = 0.00186726; /* set alpha of Eq. (4) */
mgga_x_m06l_params *params;
FLOAT f_pbe, dfdx_pbe;
FLOAT h, dhdx, dhdz, fw, dfwdt;
assert(pt!=NULL && pt->params != NULL);
params = (mgga_x_m06l_params *)pt->params;
XC(gga_x_pbe_enhance)(pt->func_aux[0], r->order, r->x, &f_pbe, &dfdx_pbe, NULL, NULL);
XC(mgga_series_w)(r->order, 12, params->a, r->t, &fw, &dfwdt);
/* there is a factor if 2 in the definition of z, as in Theor. Chem. Account 120, 215 (2008) */
XC(mgga_x_gvt4_func)(r->order, r->x, 2.0*(r->t - K_FACTOR_C), alpha, params->d, &h, &dhdx, &dhdz);
/* A MINUS was missing in Eq. (7) of the paper */
r->f = f_pbe*fw + h;
if(r->order < 1) return;
r->dfdx = dfdx_pbe*fw + dhdx;
r->dfdt = f_pbe*dfwdt + 2.0*dhdz;
}
#include "work_mgga_x.c"
const XC(func_info_type) XC(func_info_mgga_x_m06_l) = {
XC_MGGA_X_M06_L,
XC_EXCHANGE,
"M06-Local functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, JCP 125, 194101 (2006)\n"
"Y Zhao and DG Truhlar, Theor. Chem. Account 120, 215 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
mgga_x_m06l_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
const XC(func_info_type) XC(func_info_mgga_x_m06_hf) = {
XC_MGGA_X_M06_HF,
XC_EXCHANGE,
"M06-HF functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, J. Phys. Chem. A 110, 13126 (2006)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
mgga_x_m06l_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
const XC(func_info_type) XC(func_info_mgga_x_m06) = {
XC_MGGA_X_M06,
XC_EXCHANGE,
"M06 functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, Theor. Chem. Acc. 120, 215 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
mgga_x_m06l_init,
NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
libxc-2.1.2/src/lda_c_gombas.c 0000664 0001750 0001750 00000004317 12471363260 013076 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include "util.h"
/************************************************************************
Wigner's parametrization from the low density limit
************************************************************************/
#define XC_LDA_C_GOMBAS 24 /* Gombas parametrization */
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
static FLOAT a1=-0.0357, a2=0.0562, b1=-0.0311, b2=2.39;
FLOAT t1, t2, cnst_rs, x;
cnst_rs = CBRT(4.0*M_PI/3.0);
x = cnst_rs*r->rs[1];
t1 = 1.0 + a2*x;
t2 = x + b2;
r->zk = a1/t1 + b1*LOG(t2/x);
if(r->order < 1) return;
r->dedrs = -a1*a2/(t1*t1) - b1*b2/(x*t2);
r->dedrs*= cnst_rs;
r->dedz = 0.0;
if(r->order < 2) return;
r->d2edrs2 = 2.0*a1*a2*a2/(t1*t1*t1) + b1*(1.0/(x*x) - 1.0/(t2*t2));
r->d2edrs2*= cnst_rs*cnst_rs;
r->d2edrsz = r->d2edz2 = 0.0;
if(r->order < 3) return;
r->d3edrs3 = -6*a1*a2*a2*a2/(t1*t1*t1*t1) - 2.0*b1/(x*x*x) + 2.0*b1/(t2*t2*t2);
r->d3edrs3*= cnst_rs*cnst_rs*cnst_rs;
r->d3edrs2z = r->d3edrsz2 = r->d3edz3 = 0.0;
}
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_gombas) = {
XC_LDA_C_GOMBAS,
XC_CORRELATION,
"Gombas",
XC_FAMILY_LDA,
"P. Gombas, Pseudopotentiale (Springer-Verlag, Wien, New York, 1967)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/gga_c_p86.c 0000664 0001750 0001750 00000012010 12471363260 012226 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
/************************************************************************
Implements Perdew 86 Generalized Gradient Approximation
correlation functional.
************************************************************************/
#define XC_GGA_C_P86 132 /* Perdew 86 */
static void
gga_c_p86_init(XC(func_type) *p)
{
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_LDA_C_PZ, p->nspin);
}
static inline void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
static const FLOAT alpha = 0.023266, beta = 7.389e-6, gamma = 8.723, delta = 0.472;
static const FLOAT aa = 0.001667, bb = 0.002568;
static const FLOAT ftilde = 1.745*0.11;
FLOAT rsconv, x1, dx1drs, dx1dxt, d2x1drs2, d2x1drsxt;
FLOAT f1, f2, H, df1, df2, dHdx1, dHdrs, d2f1, d2f2, d2Hdrs2, d2Hdx12, d2Hdrsx1;
FLOAT DD, dDDdzeta, d2DDdzeta2, CC, CCinf, dCCdrs, d2CCdrs2;
FLOAT Phi, dPhidx1, dPhidrs, d2Phidrs2, d2Phidrsx1;
XC(lda_work_t) pw;
rsconv = POW(4.0*M_PI/3.0, 1.0/6.0);
pw.order = r->order;
pw.rs[0] = SQRT(r->rs);
pw.rs[1] = r->rs;
pw.rs[2] = r->rs*r->rs;
pw.zeta = r->zeta;
XC(lda_c_pz_func)(p->func_aux[0], &pw);
/* Equation [1].(4) */
DD = SQRT(POW(1.0 + r->zeta, 5.0/3.0) + POW(1.0 - r->zeta, 5.0/3.0))/M_SQRT2;
/* Equation [1].(6) */
f1 = bb + alpha*r->rs + beta*pw.rs[2];
f2 = 1.0 + gamma*r->rs + delta*pw.rs[2] + 1.0e4*beta*r->rs*pw.rs[2];
CC = aa + f1/f2;
CCinf = aa + bb;
/* Equation [1].(9) */
x1 = r->xt/(rsconv*pw.rs[0]);
Phi = ftilde*(CCinf/CC)*x1;
/* Equation [1].(8) */
H = x1*x1*EXP(-Phi)*CC/DD;
r->f = pw.zk + H;
if(r->order < 1) return;
dDDdzeta = 5.0/(3.0*4.0*DD)*(POW(1.0 + r->zeta, 2.0/3.0) - POW(1.0 - r->zeta, 2.0/3.0));
df1 = alpha + 2.0*beta*r->rs;
df2 = gamma + 2.0*delta*r->rs + 3.0e4*beta*pw.rs[2];
dCCdrs = (df1*f2 - f1*df2)/(f2*f2);
dx1drs = -r->xt/(2.0*rsconv*r->rs*pw.rs[0]);
dx1dxt = 1.0/(rsconv*pw.rs[0]);
dPhidx1 = ftilde*(CCinf/CC);
dPhidrs = -dCCdrs*Phi/CC;
dHdx1 = x1*EXP(-Phi)*CC/DD*(2.0 - x1*dPhidx1);
dHdrs = x1*x1*EXP(-Phi)/DD*(dCCdrs - dPhidrs*CC);
r->dfdrs = pw.dedrs + dHdrs + dHdx1*dx1drs;
r->dfdz = pw.dedz - H*dDDdzeta/DD;
r->dfdxt = dHdx1*dx1dxt;
r->dfdxs[0] = 0.0;
r->dfdxs[1] = 0.0;
if(r->order < 2) return;
d2DDdzeta2 = 0.0;
if(r->zeta < 1.0)
d2DDdzeta2 += POW(1.0 - r->zeta, -1.0/3.0);
if(r->zeta > -1.0)
d2DDdzeta2 += POW(1.0 + r->zeta, -1.0/3.0);
d2DDdzeta2 = -dDDdzeta*dDDdzeta/DD + 10.0/(36.0*DD)*d2DDdzeta2;
d2f1 = 2.0*beta;
d2f2 = 2.0*delta + 6.0e4*beta*r->rs;
d2CCdrs2 = (f2*(d2f1*f2 - f1*d2f2) - 2.0*df2*(df1*f2 - f1*df2))/(f2*f2*f2);
d2Phidrs2 = -(d2CCdrs2*Phi + dCCdrs*dPhidrs - dCCdrs*dCCdrs*Phi/CC)/CC;
d2Phidrsx1 = -dCCdrs*dPhidx1/CC;
d2x1drs2 = 3.0*r->xt/(4.0*rsconv*pw.rs[2]*pw.rs[0]);
d2x1drsxt = -1.0/(2.0*rsconv*r->rs*pw.rs[0]);
d2Hdx12 = EXP(-Phi)*CC/DD*(2.0 + x1*dPhidx1*(x1*dPhidx1 - 4.0));
d2Hdrs2 = x1*x1*EXP(-Phi)/DD*(d2CCdrs2 - d2Phidrs2*CC - dPhidrs*(2.0*dCCdrs - dPhidrs*CC));
d2Hdrsx1 = x1*EXP(-Phi)/DD*((dCCdrs - CC*dPhidrs)*(2.0 - x1*dPhidx1) - CC*x1*d2Phidrsx1);
r->d2fdrs2 = pw.d2edrs2 + d2Hdrs2 + 2.0*d2Hdrsx1*dx1drs + d2Hdx12*dx1drs*dx1drs + dHdx1*d2x1drs2;
r->d2fdrsz = pw.d2edrsz - (dHdrs + dHdx1*dx1drs)*dDDdzeta/DD;
r->d2fdrsxt = d2Hdrsx1*dx1dxt + d2Hdx12*dx1drs*dx1dxt + dHdx1*d2x1drsxt;
r->d2fdrsxs[0] = 0.0;
r->d2fdrsxs[1] = 0.0;
r->d2fdz2 = pw.d2edz2 - H*(d2DDdzeta2*DD - 2.0*dDDdzeta*dDDdzeta)/(DD*DD);
r->d2fdzxt = -dHdx1*dx1dxt*dDDdzeta/DD;
r->d2fdzxs[0] = 0.0;
r->d2fdzxs[1] = 0.0;
r->d2fdxt2 = d2Hdx12*dx1dxt*dx1dxt;
r->d2fdxtxs[0] = 0.0;
r->d2fdxtxs[1] = 0.0;
r->d2fdxs2[0] = 0.0;
r->d2fdxs2[1] = 0.0;
r->d2fdxs2[2] = 0.0;
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_p86) = {
XC_GGA_C_P86,
XC_CORRELATION,
"Perdew 86",
XC_FAMILY_GGA,
"JP Perdew, Phys. Rev. B 33, 8822 (1986)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_c_p86_init,
NULL,
NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/gga_c_optc.c 0000664 0001750 0001750 00000013162 12471363260 012567 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_C_OPTC 200 /* Optimized correlation functional of Cohen and Handy */
static void
gga_c_optc_init(XC(func_type) *p)
{
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
/* PW91 has always to be called polarized */
XC(func_init)(p->func_aux[0], XC_GGA_C_PW91, XC_POLARIZED);
}
static inline void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
static FLOAT c1 = 1.1015, c2 = 0.6625;
FLOAT opz, omz, copz, comz, o_opz, o_copz, o_omz, o_comz;
XC(gga_work_c_t) f_par[2], f_anti;
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
copz = CBRT(opz);
comz = CBRT(omz);
/* calculate the total part */
f_anti.order = r->order;
f_anti.rs = r->rs;
f_anti.zeta = r->zeta;
f_anti.xt = r->xt;
f_anti.xs[0] = r->xs[0];
f_anti.xs[1] = r->xs[1];
XC(gga_c_pw91_func) (p->func_aux[0], &f_anti);
/* now the spin up */
if(opz > p->info->min_zeta){
f_par[0].order = r->order;
f_par[0].rs = r->rs*M_CBRT2*copz;
f_par[0].zeta = 1.0;
f_par[0].xt = r->xs[0];
f_par[0].xs[0] = r->xs[0];
f_par[0].xs[1] = 0.0;
XC(gga_c_pw91_func) (p->func_aux[0], &(f_par[0]));
}else{
f_par[0].f = 0.0;
if(r->order >= 1) f_par[0].dfdrs = f_par[0].dfdxt = f_par[0].dfdxs[0] = 0.0;
if(r->order >= 2) f_par[0].d2fdrs2 = f_par[0].d2fdrsxt = f_par[0].d2fdrsxs[0] =
f_par[0].d2fdxt2 = f_par[0].d2fdxtxs[0] = f_par[0].d2fdxs2[0] = 0.0;
}
/* now the spin down */
if(omz > p->info->min_zeta){
f_par[1].order = r->order;
f_par[1].rs = r->rs*M_CBRT2*comz;
f_par[1].zeta = -1.0;
f_par[1].xt = r->xs[1];
f_par[1].xs[0] = 0.0;
f_par[1].xs[1] = r->xs[1];
XC(gga_c_pw91_func) (p->func_aux[0], &(f_par[1]));
}else{
f_par[1].f = 0.0;
if(r->order >= 1) f_par[1].dfdrs = f_par[1].dfdxt = f_par[1].dfdxs[0] = 0.0;
if(r->order >= 2) f_par[1].d2fdrs2 = f_par[1].d2fdrsxt = f_par[1].d2fdrsxs[1] =
f_par[1].d2fdxt2 = f_par[1].d2fdxtxs[1] = f_par[1].d2fdxs2[2] = 0.0;
}
/* now we add everything */
r->f = c1*f_anti.f + (c2 - c1)*(f_par[0].f + f_par[1].f);
if(r->order < 1) return;
if(opz >= p->info->min_zeta){
o_opz = 1.0/opz;
o_copz = 1.0/copz;
}else
o_opz = o_copz = 0.0;
if(omz >= p->info->min_zeta){
o_omz = 1.0/omz;
o_comz = 1.0/comz;
}else
o_omz = o_comz = 0.0;
r->dfdrs = c1*f_anti.dfdrs + (c2 - c1)*M_CBRT2*(f_par[0].dfdrs*copz + f_par[1].dfdrs*comz);
r->dfdz = c1*f_anti.dfdz + (c2 - c1)*M_CBRT2*r->rs/3.0*(f_par[0].dfdrs*o_copz*o_copz - f_par[1].dfdrs*o_comz*o_comz);
r->dfdxt = c1*f_anti.dfdxt;
r->dfdxs[0] = c1*f_anti.dfdxs[0] + (c2 - c1)*(f_par[0].dfdxt + f_par[0].dfdxs[0]);
r->dfdxs[1] = c1*f_anti.dfdxs[1] + (c2 - c1)*(f_par[1].dfdxt + f_par[1].dfdxs[1]);
if(r->order < 2) return;
r->d2fdrs2 = c1*f_anti.d2fdrs2 + (c2 - c1)*M_CBRT2*M_CBRT2*(f_par[0].d2fdrs2*copz*copz + f_par[1].d2fdrs2*comz*comz);
r->d2fdrsz = c1*f_anti.d2fdrsz + (c2 - c1)*M_CBRT2/3.0*
(f_par[0].dfdrs*o_copz*o_copz - f_par[1].dfdrs*o_comz*o_comz +
M_CBRT2*(f_par[0].d2fdrs2*o_copz - f_par[1].d2fdrs2*o_comz));
r->d2fdrsxt = c1*f_anti.d2fdrsxt;
r->d2fdrsxs[0] = c1*f_anti.d2fdrsxs[0] + (c2 - c1)*M_CBRT2*(f_par[0].d2fdrsxt + f_par[0].d2fdrsxs[0])*copz;
r->d2fdrsxs[1] = c1*f_anti.d2fdrsxs[1] + (c2 - c1)*M_CBRT2*(f_par[1].d2fdrsxt + f_par[1].d2fdrsxs[1])*comz;
r->d2fdz2 = c1*f_anti.d2fdz2 + (c2 - c1)*M_CBRT2*r->rs/3.0*
(-2.0/3.0*(f_par[0].dfdrs*o_opz*o_copz*o_copz + f_par[1].dfdrs*o_omz*o_comz*o_comz) +
M_CBRT2*r->rs/3.0*(f_par[0].d2fdrs2*o_opz*o_copz + f_par[1].d2fdrs2*o_omz*o_omz));
r->d2fdzxt = c1*f_anti.d2fdzxt;
r->d2fdzxs[0] = c1*f_anti.d2fdzxs[0] + (c2 - c1)*M_CBRT2*r->rs/3.0*(f_par[0].d2fdrsxt + f_par[0].d2fdrsxs[0])*o_copz*o_copz;
r->d2fdzxs[1] = c1*f_anti.d2fdzxs[1] + (c2 - c1)*M_CBRT2*r->rs/3.0*(f_par[1].d2fdrsxt + f_par[1].d2fdrsxs[1])*o_comz*o_comz;
r->d2fdxt2 = c1*f_anti.d2fdxt2;
r->d2fdxtxs[0] = c1*f_anti.d2fdxtxs[0];
r->d2fdxtxs[1] = c1*f_anti.d2fdxtxs[1];
r->d2fdxs2[0] = c1*f_anti.d2fdxs2[0] + (c2 - c1)*(f_par[0].d2fdxt2 + 2.0*f_par[0].d2fdxtxs[0] + f_par[0].d2fdxs2[0]);
r->d2fdxs2[1] = c1*f_anti.d2fdxs2[1];
r->d2fdxs2[2] = c1*f_anti.d2fdxs2[2] + (c2 - c1)*(f_par[1].d2fdxt2 + 2.0*f_par[1].d2fdxtxs[1] + f_par[1].d2fdxs2[2]);
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_optc) = {
XC_GGA_C_OPTC,
XC_CORRELATION,
"Optimized correlation functional of Cohen and Handy",
XC_FAMILY_GGA,
"AJ Cohen and NC Handy, Mol. Phys. 99, 607-615 (2001)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-26, 1e-32, 0.0, 1e-32, /* densities smaller than 1e-26 give rise to NaNs */
gga_c_optc_init,
NULL, NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/gga_x_herman.c 0000664 0001750 0001750 00000003401 12471363260 013114 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_HERMAN 104 /* Herman et al original GGA */
void XC(gga_x_herman_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const FLOAT beta = 0.003/X_FACTOR_C;
*f = 1.0 + beta*x*x;
if(order < 1) return;
*dfdx = 2.0*beta*x;
if(order < 2) return;
*d2fdx2 = 2.0*beta;
if(order < 3) return;
*d3fdx3 = 0.0;
}
#define func XC(gga_x_herman_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_herman) = {
XC_GGA_X_HERMAN,
XC_EXCHANGE,
"Herman Xalphabeta GGA",
XC_FAMILY_GGA,
"F Herman, JP Van Dyke, and IB Ortenburger, Phys. Rev. Lett. 22, 807 (1969)\n"
"F Herman, IB Ortenburger, and JP Van Dyke, Int. J. Quantum Chem. Symp. 3, 827 (1970)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_x_bayesian.c 0000664 0001750 0001750 00000004374 12471363260 013447 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_BAYESIAN 125 /* Bayesian best fit for the enhancement factor */
void XC(gga_x_bayesian_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const FLOAT theta[3] = {
1.0008, 0.1926, 1.8962
};
FLOAT ss, aux, f0, f02, df0, d2f0, d3f0;
ss = X2S*x;
aux = 1.0 + ss;
f0 = ss/aux;
f02 = f0*f0;
*f = theta[0] + f02*(theta[1] + f02*theta[2]);
if(order < 1) return;
df0 = 1.0/(aux*aux);
*dfdx = 2.0*f0*(theta[1] + 2.0*theta[2]*f02)*df0;
*dfdx *= X2S;
if(order < 2) return;
d2f0 = -2.0*df0/aux;
*d2fdx2 = 2.0*(theta[1] + 6.0*theta[2]*f02)*df0*df0 + 2.0*f0*(theta[1] + 2.0*theta[2]*f02)*d2f0;
*d2fdx2 *= X2S*X2S;
if(order < 3) return;
d3f0 = -3.0*d2f0/aux;
*d3fdx3 = 24.0*theta[2]*f0*df0*df0*df0 + 6.0*(theta[1] + 6.0*theta[2]*f02)*df0*d2f0 +
2.0*f0*(theta[1] + 2.0*theta[2]*f02)*d3f0;
*d3fdx3 *= X2S*X2S*X2S;
}
#define func XC(gga_x_bayesian_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_bayesian) = {
XC_GGA_X_BAYESIAN,
XC_EXCHANGE,
"Bayesian best fit for the enhancement factor",
XC_FAMILY_GGA,
"JJ Mortensen, K Kaasbjerg, SL Frederiksen, JK Nørskov, JP Sethna, and KW Jacobsen, Phys. Rev. Lett. 95, 216401 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_k_tflw.c 0000664 0001750 0001750 00000022411 12471363260 012603 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
/* for a review on the values of lambda and gamma, please see EV
Ludeña and VV Karasiev, in "Reviews of Modern Quantum Chemistry: a
Celebration of the Contributions of Robert G. Parr, edited by KD Sen
(World Scientific, Singapore, 2002), p. 612.
*/
#define XC_GGA_K_TFVW 52 /* Thomas-Fermi plus von Weiszaecker correction */
#define XC_GGA_K_VW 500 /* von Weiszaecker functional */
#define XC_GGA_K_GE2 501 /* Second-order gradient expansion (l = 1/9) */
#define XC_GGA_K_GOLDEN 502 /* TF-lambda-vW form by Golden (l = 13/45) */
#define XC_GGA_K_YT65 503 /* TF-lambda-vW form by Yonei and Tomishima (l = 1/5) */
#define XC_GGA_K_BALTIN 504 /* TF-lambda-vW form by Baltin (l = 5/9) */
#define XC_GGA_K_LIEB 505 /* TF-lambda-vW form by Lieb (l = 0.185909191) */
#define XC_GGA_K_ABSP1 506 /* gamma-TFvW form by Acharya et al [g = 1 - 1.412/N^(1/3)] */
#define XC_GGA_K_ABSP2 507 /* gamma-TFvW form by Acharya et al [g = 1 - 1.332/N^(1/3)] */
#define XC_GGA_K_GR 508 /* gamma-TFvW form by Gázquez and Robles */
#define XC_GGA_K_LUDENA 509 /* gamma-TFvW form by Ludeña */
#define XC_GGA_K_GP85 510 /* gamma-TFvW form by Ghosh and Parr */
typedef struct{
FLOAT gamma, lambda;
} gga_k_tflw_params;
static void
gga_k_tflw_init(XC(func_type) *p)
{
assert(p->params == NULL);
p->params = malloc(sizeof(gga_k_tflw_params));
/* This automatically sets gamma and lambda depending on the functional chosen.
We put by default N = 1.0 */
XC(gga_k_tflw_set_params)(p, -1.0, -1.0, 1.0);
}
/* for automatically assigning lambda and gamma set them to -1 */
void
XC(gga_k_tflw_set_params)(XC(func_type) *p, FLOAT gamma, FLOAT lambda, FLOAT N)
{
gga_k_tflw_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_k_tflw_params *) (p->params);
params->gamma = 1.0;
if(gamma > 0.0){
params->gamma = gamma;
}else if(N > 0.0){
switch(p->info->number){
case XC_GGA_K_TFVW:
params->gamma = 1.0;
break;
case XC_GGA_K_VW:
params->gamma = 0.0;
break;
case XC_GGA_K_ABSP1: /* Ref. 79 */
params->gamma = 1.0 - 1.412/CBRT(N);
break;
case XC_GGA_K_ABSP2: /* Ref. 79 */
params->gamma = 1.0 - 1.332/CBRT(N);
break;
case XC_GGA_K_GR: /* Ref. 80 */
params->gamma = (1.0 - 2.0/N)*(1.0 - 1.015/CBRT(N) + 0.150*CBRT(N*N));
break;
case XC_GGA_K_LUDENA: /* Ref. 82 */
params->gamma = CBRT(6.0*M_PI)*M_PI*M_PI*(1.0 - 1.0/(N*N));
break;
case XC_GGA_K_GP85: /* Ref. 86 */
params->gamma = CBRT(6.0*M_PI*M_PI)*M_PI*M_PI/4.0*
(1.0 - 1.0/N)*(1.0 + 1.0/N + 6.0/(N*N));
break;
}
}
params->lambda = 1.0;
if(lambda > 0.0){
params->lambda = lambda;
}else{
switch(p->info->number){
case XC_GGA_K_TFVW:
params->lambda = 1.0;
break;
case XC_GGA_K_GE2:
params->lambda = 1.0/9.0;
break;
case XC_GGA_K_GOLDEN: /* Ref. 33 */
params->lambda = 13.0/45.0;
break;
case XC_GGA_K_YT65: /* Ref. 57 */
params->lambda = 1.0/5.0;
break;
case XC_GGA_K_BALTIN: /* Ref. 66 */
params->lambda = 5.0/9.0;
break;
case XC_GGA_K_LIEB: /* Ref. 12 */
params->lambda = 0.185909191; /* 1/5.37897... */
break;
}
}
}
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT lambda, gamma;
assert(p->params != NULL);
lambda = ((gga_k_tflw_params *) (p->params))->lambda;
gamma = ((gga_k_tflw_params *) (p->params))->gamma;
lambda /= 8.0; /* the von Weiszaecker coefficient */
*f = gamma + lambda*x*x/K_FACTOR_C;
if(order < 1) return;
*dfdx = 2.0*lambda*x/K_FACTOR_C;
if(order < 2) return;
*d2fdx2 = 2.0*lambda/K_FACTOR_C;
}
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_tfvw) = {
XC_GGA_K_TFVW,
XC_KINETIC,
"Thomas-Fermi plus von Weiszaecker correction",
XC_FAMILY_GGA,
"CF von Weiszaecker, Z. Phys. 96, 431 (1935)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_vw) = {
XC_GGA_K_VW,
XC_KINETIC,
"von Weiszaecker correction to Thomas-Fermi",
XC_FAMILY_GGA,
"CF von Weiszaecker, Z. Phys. 96, 431 (1935)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_ge2) = {
XC_GGA_K_GE2,
XC_KINETIC,
"Second-order gradient expansion of the kinetic energy density",
XC_FAMILY_GGA,
"AS Kompaneets and ES Pavlovskii, Zh. Eksp. Teor. Fiz. 31, 427 (1956) [Sov. Phys. JETP 4, 328 (1957)]"
"DA Kirznits, Zh. Eksp. Teor. Fiz. 32, 115 (1957) [Sov. Phys. JETP 5, 64 (1957)]",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_golden) = {
XC_GGA_K_GOLDEN,
XC_KINETIC,
"TF-lambda-vW form by Golden (l = 13/45)",
XC_FAMILY_GGA,
"S Golden, Phys. Rev. 105, 604-615 (1957)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_yt65) = {
XC_GGA_K_YT65,
XC_KINETIC,
"TF-lambda-vW form by Yonei and Tomishima (l = 1/5)",
XC_FAMILY_GGA,
"K. Yonei and Y. Tomishima, J. Phys. Soc. Jpn. 20, 1051-1057 (1965)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_baltin) = {
XC_GGA_K_BALTIN,
XC_KINETIC,
"TF-lambda-vW form by Baltin (l = 5/9)",
XC_FAMILY_GGA,
"R Baltin, Z. Naturforsch. A 27, 1176 (1972)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_lieb) = {
XC_GGA_K_LIEB,
XC_KINETIC,
"TF-lambda-vW form by Lieb (l = 0.185909191)",
XC_FAMILY_GGA,
"EH Lieb, Rev. Mod. Phys. 53, 603-641 (1981)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_absp1) = {
XC_GGA_K_ABSP1,
XC_KINETIC,
"gamma-TFvW form by Acharya et al [g = 1 - 1.412/N^(1/3)]",
XC_FAMILY_GGA,
"PK Acharya, LJ Bartolotti, SB Sears, and RG Parr, Proc. Natl. Acad. Sci. USA 77 6978-6982 (1980)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_absp2) = {
XC_GGA_K_ABSP2,
XC_KINETIC,
"gamma-TFvW form by Acharya et al [g = 1 - 1.332/N^(1/3)]",
XC_FAMILY_GGA,
"PK Acharya, LJ Bartolotti, SB Sears, and RG Parr, Proc. Natl. Acad. Sci. USA 77 6978-6982 (1980)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_gr) = {
XC_GGA_K_GR,
XC_KINETIC,
"gamma-TFvW form by Gázquez and Robles",
XC_FAMILY_GGA,
"JL Gázquez and J Robles, J. Chem. Phys. 76, 1467 (1982)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_ludena) = {
XC_GGA_K_LUDENA,
XC_KINETIC,
"gamma-TFvW form by Ludeña",
XC_FAMILY_GGA,
"EV Ludeña, in Cond. Matt. Theor. Vol 1, ed. by FB Malik (Plenum, New York, 1986), p. 183",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_gp85) = {
XC_GGA_K_GP85,
XC_KINETIC,
"gamma-TFvW form by Ghosh and Parr",
XC_FAMILY_GGA,
"SK Ghosh and RG Parr, J. Chem. Phys. 82, 3307 (1985)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_k_tflw_init,
NULL, NULL,
work_gga_k,
NULL
};
libxc-2.1.2/src/xc_config.h 0000664 0001750 0001750 00000002435 12471363260 012447 0000000 0000000 #ifdef SINGLE_PRECISION
# define FLOAT float
# define POW powf
# define LOG logf
# define ABS fabsf
# define EXP expf
# define ERF erff
# define ERFC erfcf
# define SIN sinf
# define COS cosf
# define TAN tanf
# define ATAN atanf
# define ATAN2 atan2f
# define ASINH asinhf
#ifdef HAVE_SQRTF
# define SQRT sqrtf
#else
# define SQRT sqrt
#endif
#ifdef HAVE_CBRTF
#define CBRT cbrtf
#elif defined(HAVE_CBRT)
#define CBRT cbrt
#else
#define CBRT(x) powf((x), 1.0/3.0)
#endif
# define XC(x) xc_s_ ## x
# define XC_U(X) XC_S_ ## X
# define FLOAT_EPSILON FLT_EPSILON
# define FLOAT_MIN FLT_MIN
# define FLOAT_MAX FLT_MAX
#else
/* Double precision */
# define FLOAT double
# define POW pow
# define LOG log
# define ABS fabs
# define EXP exp
# define ERF erf
# define ERFC erfc
# define SIN sin
# define COS cos
# define TAN tan
# define ATAN atan
# define ATAN2 atan2
# define ASINH asinh
# define SQRT sqrt
#ifdef HAVE_CBRT
#define CBRT cbrt
#else
#define CBRT(x) pow((x), 1.0/3.0)
#endif
# define XC(x) xc_ ## x
# define XC_U(X) XC_ ## X
# define FLOAT_EPSILON DBL_EPSILON
# define FLOAT_MIN DBL_MIN
# define FLOAT_MAX DBL_MAX
#endif
#define XC_FC_FUNC2(a,b) FC_FUNC_(a,b)
#define XC_FC_FUNC(a,b) XC_FC_FUNC2(XC(a), XC_U(b))
libxc-2.1.2/src/gga_x_pbea.c 0000664 0001750 0001750 00000003522 12471363260 012555 0000000 0000000 /*
Copyright (C) 2008 Georg Madsen
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_PBEA 121 /* Madsen (PBE-like) */
/* PBEA: see PBE for more details */
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const FLOAT kappa = 0.8040;
static const FLOAT mu = 0.00361218645365094697;
/* hard-coded alpha*/
static const FLOAT alpha = 0.52;
FLOAT f0, df0, d2f0;
f0 = 1.0 + mu*x*x/(alpha*kappa);
*f = 1.0 + kappa*(1.0 - POW(f0, -alpha));
if(order < 1) return;
df0 = 2.0*mu*x/(alpha*kappa);
*dfdx = alpha*kappa*df0*POW(f0, -(alpha + 1.0));
if(order < 2) return;
d2f0 = 2.0*mu/(alpha*kappa);
*d2fdx2 = alpha*kappa*POW(f0, -alpha - 1.0)*
(d2f0 - (alpha + 1.0)*df0*df0/f0);
}
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_pbea) = {
XC_GGA_X_PBEA,
XC_EXCHANGE,
"Madsen 07",
XC_FAMILY_GGA,
"G Madsen, Phys. Rev. B 75, 195108 (2007)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_xc_edf1.c 0000664 0001750 0001750 00000011460 12471363260 012630 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_XC_EDF1 165 /* Empirical functionals from Adamson, Gill, and Pople */
#define XC_GGA_X_OPTPBE_VDW 141 /* PBE reparametrization for vdW */
#define XC_GGA_XC_MOHLYP 194 /* Functional for organometallic chemistry */
#define XC_GGA_XC_MOHLYP2 195 /* Functional for barrier heights */
#define XC_GGA_X_SOGGA 150 /* Second-order generalized gradient approximation */
static void
gga_xc_edf1_init(XC(func_type) *p)
{
static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_GGA_X_B88, XC_GGA_C_LYP};
static FLOAT funcs_coef[4] = {1.030952 - 10.4017 + 8.44793, 10.4017, -8.44793, 1.0};
XC(mix_init)(p, 4, funcs_id, funcs_coef);
XC(gga_x_b88_set_params)(p->func_aux[1], 0.0035, 6.0);
XC(gga_x_b88_set_params)(p->func_aux[2], 0.0042, 6.0);
XC(gga_c_lyp_set_params)(p->func_aux[3], 0.055, 0.158, 0.25, 0.3505);
}
const XC(func_info_type) XC(func_info_gga_xc_edf1) = {
XC_GGA_XC_EDF1,
XC_EXCHANGE_CORRELATION,
"EDF1",
XC_FAMILY_GGA,
"RD Adamson, PMW Gill, and JA Pople, Chem. Phys. Lett. 284 6 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_edf1_init,
NULL, NULL, NULL, NULL
};
static void
gga_x_optpbe_vdw_init(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_X_RPBE};
static FLOAT funcs_coef[2] = {1.0 - 0.054732, 0.054732};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(gga_x_pbe_set_params) (p->func_aux[0], 1.04804, 0.175519);
XC(gga_x_rpbe_set_params)(p->func_aux[1], 1.04804, 0.175519);
}
const XC(func_info_type) XC(func_info_gga_x_optpbe_vdw) = {
XC_GGA_X_OPTPBE_VDW,
XC_EXCHANGE,
"Reparametrized PBE for vdW",
XC_FAMILY_GGA,
"J Klimes, DR Bowler, and A Michaelides, J. Phys.: Condens. Matter 22, 022201 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_optpbe_vdw_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_mohlyp_init(XC(func_type) *p)
{
static int funcs_id [3] = {XC_GGA_X_OPTX, XC_LDA_C_VWN, XC_GGA_C_LYP};
static FLOAT funcs_coef[3] = {1.0, 0.5, 0.5};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
XC(gga_x_optx_set_params)(p->func_aux[0], 1.0, 1.292/X_FACTOR_C, 0.006);
}
const XC(func_info_type) XC(func_info_gga_xc_mohlyp) = {
XC_GGA_XC_MOHLYP,
XC_EXCHANGE_CORRELATION,
"Functional for organometallic chemistry",
XC_FAMILY_GGA,
"NE Schultz, Y Zhao, DGJ Truhlar, Phys. Chem. A, 109, 11127 (2005)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_mohlyp_init,
NULL, NULL, NULL, NULL
};
static void
gga_xc_mohlyp2_init(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_OPTX, XC_GGA_C_LYP};
static FLOAT funcs_coef[2] = {1.0, 0.5};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(gga_x_optx_set_params)(p->func_aux[0], 1.05151, 1.8497564/X_FACTOR_C, 0.006);
}
const XC(func_info_type) XC(func_info_gga_xc_mohlyp2) = {
XC_GGA_XC_MOHLYP2,
XC_EXCHANGE_CORRELATION,
"Functional for barrier heights",
XC_FAMILY_GGA,
"J Zheng, Y Zhao, DGJ Truhlar, Chem. Theory. Comput. 5, 808 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_xc_mohlyp2_init,
NULL, NULL, NULL, NULL
};
static void
gga_x_sogga_init(XC(func_type) *p)
{
static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_X_RPBE};
static FLOAT funcs_coef[2] = {0.5, 0.5};
XC(mix_init)(p, 2, funcs_id, funcs_coef);
XC(gga_x_pbe_set_params) (p->func_aux[0], 0.552, 10.0/81.0);
XC(gga_x_rpbe_set_params)(p->func_aux[1], 0.552, 10.0/81.0);
}
const XC(func_info_type) XC(func_info_gga_x_sogga) = {
XC_GGA_X_SOGGA,
XC_EXCHANGE,
"Second-order generalized gradient approximation",
XC_FAMILY_GGA,
"Y Zhao and DG Truhlar, J. Chem. Phys. 128, 184109 (2008)\n"
"http://comp.chem.umn.edu/mfm/index.html",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-31, 1e-32, 0.0, 1e-32,
gga_x_sogga_init,
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/gga_x_pbe.c 0000664 0001750 0001750 00000037325 12471363260 012424 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_PBE 101 /* Perdew, Burke & Ernzerhof exchange */
#define XC_GGA_X_PBE_R 102 /* Perdew, Burke & Ernzerhof exchange (revised) */
#define XC_GGA_X_PBE_SOL 116 /* Perdew, Burke & Ernzerhof exchange (solids) */
#define XC_GGA_X_XPBE 123 /* xPBE reparametrization by Xu & Goddard */
#define XC_GGA_X_PBE_JSJR 126 /* JSJR reparametrization by Pedroza, Silva & Capelle */
#define XC_GGA_X_PBEK1_VDW 140 /* PBE reparametrization for vdW */
#define XC_GGA_X_RGE2 142 /* Regularized PBE */
#define XC_GGA_X_APBE 184 /* mu fixed from the semiclassical neutral atom */
#define XC_GGA_X_PBEINT 60 /* PBE for hybrid interfaces */
#define XC_GGA_X_PBE_TCA 59 /* PBE revised by Tognetti et al */
#define XC_GGA_K_APBE 185 /* mu fixed from the semiclassical neutral atom */
#define XC_GGA_K_TW1 187 /* Tran and Wesolowski set 1 (Table II) */
#define XC_GGA_K_TW2 188 /* Tran and Wesolowski set 2 (Table II) */
#define XC_GGA_K_TW3 189 /* Tran and Wesolowski set 3 (Table II) */
#define XC_GGA_K_TW4 190 /* Tran and Wesolowski set 4 (Table II) */
#define XC_GGA_K_REVAPBE 55 /* revised APBE */
#define XC_GGA_K_APBEINT 54 /* interpolated version of APBE */
#define XC_GGA_K_REVAPBEINT 53 /* interpolated version of REVAPBE */
#define XC_GGA_X_PBE_MOL 49 /* Del Campo, Gazquez, Trickey and Vela (PBE-like) */
typedef struct{
FLOAT kappa, mu;
/* parameters only used for PBEint and similar functionals */
FLOAT alpha, muPBE, muGE;
} gga_x_pbe_params;
static void
gga_x_pbe_init(XC(func_type) *p)
{
static const FLOAT kappa[19] = {
0.8040, /* original PBE */
1.245, /* PBE R */
0.8040, /* PBE sol */
0.91954, /* xPBE */
0.8040, /* PBE_JSJR */
1.0, /* PBEK1_VDW */
0.8040, /* RGE2 */
0.8040, /* APBE (X) */
0.8040, /* APBE (K) */
0.8209, /* TW1 */
0.6774, /* TW2 */
0.8438, /* TW3 */
0.8589, /* TW4 */
0.8040, /* PBEint */
1.227, /* PBE TCA */
1.245, /* revAPBE (K) */
0.8040, /* APBEINT (K) */
1.245, /* revAPBEINT (K) */
0.8040 /* PBEmol */
};
static const FLOAT mu[19] = {
0.2195149727645171, /* PBE: mu = beta*pi^2/3, beta = 0.06672455060314922 */
0.2195149727645171, /* PBE rev: as PBE */
10.0/81.0, /* PBE sol */
0.23214, /* xPBE */
0.046*M_PI*M_PI/3.0, /* PBE_JSJR */
0.2195149727645171, /* PBEK1_VDW: as PBE */
10.0/81.0, /* RGE2 */
0.260, /* APBE (X) */
0.23889, /* APBE (K) */
0.2335, /* TW1 */
0.2371, /* TW2 */
0.2319, /* TW3 */
0.2309, /* TW4 */
0.0, /* PBEint (to be set later) */
0.2195149727645171, /* PBE TCA: as PBE */
0.23889, /* revAPBE (K) */
0.0, /* APBEINT (K) (to be set later) */
0.0, /* REVAPBEINT (K) (to be set later) */
0.27583 /* PBEmol */
};
gga_x_pbe_params *params;
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(gga_x_pbe_params));
params = (gga_x_pbe_params *) (p->params);
params->alpha = 0.0;
params->muPBE = 0.0;
params->muGE = 0.0;
switch(p->info->number){
case XC_GGA_X_PBE: p->func = 0; break;
case XC_GGA_X_PBE_R: p->func = 1; break;
case XC_GGA_X_PBE_SOL: p->func = 2; break;
case XC_GGA_X_XPBE: p->func = 3; break;
case XC_GGA_X_PBE_JSJR: p->func = 4; break;
case XC_GGA_X_PBEK1_VDW: p->func = 5; break;
case XC_GGA_X_RGE2: p->func = 6; break;
case XC_GGA_X_APBE: p->func = 7; break;
case XC_GGA_K_APBE: p->func = 8; break;
case XC_GGA_K_TW1: p->func = 9; break;
case XC_GGA_K_TW2: p->func = 10; break;
case XC_GGA_K_TW3: p->func = 11; break;
case XC_GGA_K_TW4: p->func = 12; break;
case XC_GGA_X_PBEINT: {
p->func = 13;
params->alpha = 0.197;
params->muPBE = 0.2195149727645171;
params->muGE = 10.0/81.0;
break;
}
case XC_GGA_X_PBE_TCA: p->func = 14; break;
case XC_GGA_K_REVAPBE: p->func = 15; break;
case XC_GGA_K_APBEINT: {
p->func = 16;
params->alpha = 5.0/3.0;
params->muPBE = 0.23899;
params->muGE = 5.0/27.0;
break;
}
case XC_GGA_K_REVAPBEINT: { /* equal to the previous one */
p->func = 17;
params->alpha = 5.0/3.0;
params->muPBE = 0.23899;
params->muGE = 5.0/27.0;
break;
}
case XC_GGA_X_PBE_MOL: p->func = 18; break;
default:{
fprintf(stderr, "Internal error in gga_x_pbe\n");
exit(1);
}}
XC(gga_x_pbe_set_params)(p, kappa[p->func], mu[p->func]);
}
void
XC(gga_x_pbe_set_params)(XC(func_type) *p, FLOAT kappa, FLOAT mu)
{
gga_x_pbe_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_pbe_params *) (p->params);
params->kappa = kappa;
params->mu = mu;
}
void XC(gga_x_pbe_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
gga_x_pbe_params *params;
FLOAT kappa, auxmu, mu, dmu, d2mu, d3mu, ss, ss2, f0, df0, d2f0, d3f0;
assert(p->params != NULL);
params = (gga_x_pbe_params *) (p->params);
kappa = params->kappa;
ss = X2S*x;
ss2 = ss*ss;
if(params->alpha != 0.0){ /* PBEint and related functionals */
auxmu = 1.0 + params->alpha*ss2;
mu = params->muGE + (params->muPBE - params->muGE) * params->alpha*ss2/auxmu;
}else
mu = params->mu;
f0 = kappa + mu*ss2;
if(p->info->number == XC_GGA_X_RGE2)
f0 += mu*mu*ss2*ss2/kappa;
*f = 1.0 + kappa*(1.0 - kappa/f0);
if(order < 1) return;
if(params->alpha != 0.0){ /* PBEint and related functionals */
dmu = (params->muPBE - params->muGE) * 2.0*params->alpha*ss/(auxmu*auxmu);
}else
dmu = 0.0;
df0 = 2.0*mu*ss + dmu*ss2;
if(p->info->number == XC_GGA_X_RGE2)
df0 += 4.0*mu*mu*ss2*ss/kappa;
*dfdx = X2S*kappa*kappa*df0/(f0*f0);
if(order < 2) return;
if(params->alpha != 0.0) /* PBEint and related functionals */
d2mu = (params->muPBE - params->muGE) *
2.0*params->alpha*(1.0 - 3.0*params->alpha*ss2)/(auxmu*auxmu*auxmu);
else
d2mu = 0.0;
d2f0 = 2.0*mu + 4.0*dmu*ss + d2mu*ss2;
if(p->info->number == XC_GGA_X_RGE2)
d2f0 += 4.0*3.0*mu*mu*ss2/kappa;
*d2fdx2 = -X2S*X2S*kappa*kappa*(2.0*df0*df0 - d2f0*f0)/(f0*f0*f0);
if(order < 3) return;
if(params->alpha != 0.0) /* PBEint and related functionals */
d3mu = (params->muPBE - params->muGE) *
24.0*params->alpha*params->alpha*ss*(-1.0 + params->alpha*ss2)/(auxmu*auxmu*auxmu*auxmu);
else
d3mu = 0.0;
d3f0 = 6.0*dmu + 6.0*ss*d2mu + ss2*d3mu;
if(p->info->number == XC_GGA_X_RGE2)
d3f0 += 4.0*3.0*2.0*mu*mu*ss/kappa;
*d3fdx3 = X2S*X2S*X2S*kappa*kappa*(6.0*df0*df0*df0 - 6.0*f0*df0*d2f0 + f0*f0*d3f0)/(f0*f0*f0*f0);
}
#define func XC(gga_x_pbe_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_pbe) = {
XC_GGA_X_PBE,
XC_EXCHANGE,
"Perdew, Burke & Ernzerhof",
XC_FAMILY_GGA,
"JP Perdew, K Burke, and M Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)\n"
"JP Perdew, K Burke, and M Ernzerhof, Phys. Rev. Lett. 78, 1396(E) (1997)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbe_r) = {
XC_GGA_X_PBE_R,
XC_EXCHANGE,
"Revised PBE from Zhang & Yang",
XC_FAMILY_GGA,
"Y Zhang and W Yang, Phys. Rev. Lett 80, 890 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbe_sol) = {
XC_GGA_X_PBE_SOL,
XC_EXCHANGE,
"Perdew, Burke & Ernzerhof SOL",
XC_FAMILY_GGA,
"JP Perdew, et al, Phys. Rev. Lett. 100, 136406 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_xpbe) = {
XC_GGA_X_XPBE,
XC_EXCHANGE,
"Extended PBE by Xu & Goddard III",
XC_FAMILY_GGA,
"X Xu and WA Goddard III, J. Chem. Phys. 121, 4068 (2004)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbe_jsjr) = {
XC_GGA_X_PBE_JSJR,
XC_EXCHANGE,
"Reparametrized PBE by Pedroza, Silva & Capelle",
XC_FAMILY_GGA,
"LS Pedroza, AJR da Silva, and K. Capelle, Phys. Rev. B 79, 201106(R) (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbek1_vdw) = {
XC_GGA_X_PBEK1_VDW,
XC_EXCHANGE,
"Reparametrized PBE for vdW",
XC_FAMILY_GGA,
"J Klimes, DR Bowler, and A Michaelides, J. Phys.: Condens. Matter 22, 022201 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_rge2) = {
XC_GGA_X_RGE2,
XC_EXCHANGE,
"Regularized PBE",
XC_FAMILY_GGA,
"A Ruzsinszky, GI Csonka, and G Scuseria, J. Chem. Theory Comput. 5, 763 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_apbe) = {
XC_GGA_X_APBE,
XC_EXCHANGE,
"mu fixed from the semiclassical neutral atom",
XC_FAMILY_GGA,
"LA Constantin, E Fabiano, S Laricchia, and F Della Sala, Phys. Rev. Lett. 106, 186406 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbeint) = {
XC_GGA_X_PBEINT,
XC_EXCHANGE,
"PBE for hybrid interfaces",
XC_FAMILY_GGA,
"E. Fabiano, LA Constantin, and F. Della Sala, Phys. Rev. B 82, 113104 (2010)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-12, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbe_tca) = {
XC_GGA_X_PBE_TCA,
XC_EXCHANGE,
"PBE revised by Tognetti et al",
XC_FAMILY_GGA,
"V Tognetti, P Cortona, and C Adamo, Chem. Phys. Lett. 460, 536-539 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_apbe) = {
XC_GGA_K_APBE,
XC_KINETIC,
"mu fixed from the semiclassical neutral atom",
XC_FAMILY_GGA,
"LA Constantin, E Fabiano, S Laricchia, and F Della Sala, Phys. Rev. Lett. 106, 186406 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_revapbe) = {
XC_GGA_K_REVAPBE,
XC_KINETIC,
"revised APBE",
XC_FAMILY_GGA,
"LA Constantin, E Fabiano, S Laricchia, and F Della Sala, Phys. Rev. Lett. 106, 186406 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_tw1) = {
XC_GGA_K_TW1,
XC_KINETIC,
"Tran and Wesolowski set 1 (Table II)",
XC_FAMILY_GGA,
"F Tran and TA Wesolowski, Int. J. Quant. Chem. 89, 441-446 (2002)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_tw2) = {
XC_GGA_K_TW2,
XC_KINETIC,
"Tran and Wesolowski set 1 (Table II)",
XC_FAMILY_GGA,
"F Tran and TA Wesolowski, Int. J. Quant. Chem. 89, 441-446 (2002)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_tw3) = {
XC_GGA_K_TW3,
XC_KINETIC,
"Tran and Wesolowski set 1 (Table II)",
XC_FAMILY_GGA,
"F Tran and TA Wesolowski, Int. J. Quant. Chem. 89, 441-446 (2002)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_tw4) = {
XC_GGA_K_TW4,
XC_KINETIC,
"Tran and Wesolowski set 1 (Table II)",
XC_FAMILY_GGA,
"F Tran and TA Wesolowski, Int. J. Quant. Chem. 89, 441-446 (2002)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_apbeint) = {
XC_GGA_K_APBEINT,
XC_KINETIC,
"interpolated version of APBE",
XC_FAMILY_GGA,
"S Laricchia, E Fabiano, LA Constantin, and F Della Sala, J. Chem. Theory Comput. 7, 2439-2451 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_k_revapbeint) = {
XC_GGA_K_REVAPBEINT,
XC_KINETIC,
"interpolated version of REVAPBE",
XC_FAMILY_GGA,
"S Laricchia, E Fabiano, LA Constantin, and F Della Sala, J. Chem. Theory Comput. 7, 2439-2451 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_k,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_pbe_mol) = {
XC_GGA_X_PBE_MOL,
XC_EXCHANGE,
"Reparametrized PBE by del Campo, Gazquez, Trickey & Vela",
XC_FAMILY_GGA,
"JM del Campo, JL Gazquez, SB Trickey, and A Vela, J. Chem. Phys. 136, 104108 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pbe_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/mgga_x_gvt4.c 0000664 0001750 0001750 00000004675 12471363260 012721 0000000 0000000 /*
Copyright (C) 2008 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_X_GVT4 204 /* GVT4 from Van Voorhis and Scuseria */
/* calculate h and h derivatives with respect to rho, grho and tau: Equation (5) */
void XC(mgga_x_gvt4_func)(int order, FLOAT x, FLOAT z, FLOAT alpha, const FLOAT *d,
FLOAT *h, FLOAT *dhdx, FLOAT *dhdz)
{
FLOAT gam, gam2, x2, dhdgam;
FLOAT n1, n2, n3;
x2 = x*x;
gam = 1.0 + alpha*(x2 + z);
gam2 = gam*gam;
n1 = d[0];
n2 = d[1]*x2 + d[2]*z;
n3 = d[3]*x2*x2 + d[4]*x2*z + d[5]*z*z;
*h = n1/gam + n2/gam2 + n3/(gam*gam2);
if(order < 1) return;
dhdgam = -n1/gam2 - 2.0*n2/(gam*gam2) - 3.0*n3/(gam2*gam2);
*dhdx = 2.0*d[1]*x/gam2 + (4.0*d[3]*x*x2 + 2.0*d[4]*x*z)/(gam*gam2) +
dhdgam*(2.0*alpha*x);
*dhdz = d[2]/gam2 + (d[4]*x2 + 2.0*d[5]*z)/(gam*gam2) +
dhdgam*alpha;
}
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
static const FLOAT abcd[6] =
{-9.800683e-01, -3.556788e-03, 6.250326e-03, -2.354518e-05, -1.282732e-04, 3.574822e-04};
static const FLOAT alpha = 0.00186726;
XC(mgga_x_gvt4_func)(r->order, r->x, 2.0*(r->t - K_FACTOR_C), alpha, abcd, &r->f, &r->dfdx, &r->dfdt);
r->f /= -X_FACTOR_C;
if(r->order < 1) return;
r->dfdx /= -X_FACTOR_C;
r->dfdt /= -X_FACTOR_C/2.0;
}
#include "work_mgga_x.c"
const XC(func_info_type) XC(func_info_mgga_x_gvt4) = {
XC_MGGA_X_GVT4,
XC_EXCHANGE,
"GVT4 (X part of VSXC)",
XC_FAMILY_MGGA,
"T Van Voorhis and GE Scuseria, JCP 109, 400 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
NULL, NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
libxc-2.1.2/src/gga_x_optx.c 0000664 0001750 0001750 00000005277 12471363260 012651 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_OPTX 110 /* Handy & Cohen OPTX 01 */
typedef struct{
FLOAT a, b, gamma;
} gga_x_optx_params;
static void
gga_x_optx_init(XC(func_type) *p)
{
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(gga_x_optx_params));
XC(gga_x_optx_set_params)(p, 1.05151, 1.43169/X_FACTOR_C, 0.006);
}
void
XC(gga_x_optx_set_params)(XC(func_type) *p, FLOAT a, FLOAT b, FLOAT gamma)
{
gga_x_optx_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_optx_params *) (p->params);
params->a = a;
params->b = b;
params->gamma = gamma;
}
void XC(gga_x_optx_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT a, b, gamma;
FLOAT num, dnum, d2num, den, u, du, d2u, d3u;
assert(p->params != NULL);
a = ((gga_x_optx_params *) (p->params))->a;
b = ((gga_x_optx_params *) (p->params))->b;
gamma = ((gga_x_optx_params *) (p->params))->gamma;
num = gamma*x*x;
den = 1.0 + num;
u = num/den;
*f = a + b*u*u;
if(order < 1) return;
dnum = 2.0*gamma*x;
du = DFRACTION(num, dnum, den, dnum);
*dfdx = 2.0*b*u*du;
if(order < 2) return;
d2num = 2.0*gamma;
d2u = D2FRACTION(num, dnum, d2num, den, dnum, d2num);
*d2fdx2 = 2.0*b*(du*du + u*d2u);
if(order < 3) return;
d3u = D3FRACTION(num, dnum, d2num, 0.0, den, dnum, d2num, 0.0);
*d3fdx3 = 2.0*b*(3.0*du*d2u + u*d3u);
}
#define func XC(gga_x_optx_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_optx) = {
XC_GGA_X_OPTX,
XC_EXCHANGE,
"Handy & Cohen OPTX 01",
XC_FAMILY_GGA,
"NC Handy and AJ Cohen, Mol. Phys. 99, 403 (2001)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_optx_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/lda_c_ml1.c 0000664 0001750 0001750 00000006733 12471363260 012323 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
/************************************************************************
Correlation energy of Proynov and Salahub
************************************************************************/
#define XC_LDA_C_ML1 22 /* Modified LSD (version 1) of Proynov and Salahub */
#define XC_LDA_C_ML2 23 /* Modified LSD (version 2) of Proynov and Salahub */
static void
lda_c_ml1_init(XC(func_type) *p)
{
switch(p->info->number){
case XC_LDA_C_ML2:
p->func = 1; break;
default:
p->func = 0; break;
}
}
/* the functional */
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
static FLOAT fc[2] = {0.2026, 0.266}, q[2] = {0.084, 0.5}, C = 6.187335;
static FLOAT b[6] = {2.763169, 1.757515, 1.741397, 0.568985, 1.572202, 1.885389};
FLOAT cnst_rs, nn, zp3, zm3, alpha, beta, gamma, k, Q;
FLOAT dalpha, dbeta, dQ, dkdrs, dkdz;
cnst_rs = CBRT(3.0/(4*M_PI));
alpha = fc[p->func]*(POW(1 + r->zeta, q[p->func]) + POW(1.0 - r->zeta, q[p->func]));
zp3 = CBRT(1.0 + r->zeta);
zm3 = CBRT(1.0 - r->zeta);
beta = zp3*zm3/(zp3 + zm3);
k = C*alpha*beta*cnst_rs/r->rs[1];
Q = (k == 0.0) ? -FLT_MAX : -b[0]/(1.0 + b[1]*k) + b[2]/k*LOG(1.0 + b[3]/k) + b[4]/k - b[5]/(k*k);
gamma = (1 - r->zeta*r->zeta)/4.0;
nn = POW(cnst_rs/r->rs[1], 3);
r->zk = 0.5*nn*gamma*Q;
if(r->order < 1) return;
dQ = (k == 0.0) ? FLT_MAX : b[0]*b[1]/((1.0 + b[1]*k)*(1.0 + b[1]*k)) - b[2]*b[3]/((b[3] + k)*(k*k))
- b[2]*LOG(1.0 + b[3]/k)/(k*k) - b[4]/(k*k) + 2.0*b[5]/(k*k*k);
dkdrs = -k/r->rs[1];
if(ABS(r->zeta) == 1.0)
dalpha = dbeta = 0.0;
else{
dalpha = fc[p->func]*q[p->func]*(POW(1 + r->zeta, q[p->func] - 1.0) - POW(1.0 - r->zeta, q[p->func] - 1.0));
dbeta = (-2.0*r->zeta - zm3*zm3*zp3 + zm3*zp3*zp3)/(3.0*zm3*zm3*zp3*zp3*(zp3 + zm3));
}
dkdz = C*(dalpha*beta + alpha*dbeta)*cnst_rs/r->rs[1];
r->dedrs = 0.5*nn*gamma*(dQ*dkdrs - 3.0*Q/r->rs[1]);
r->dedz = 0.5*nn*(-r->zeta*Q/2.0 + gamma*dQ*dkdz);
}
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_ml1) = {
XC_LDA_C_ML1,
XC_CORRELATION,
"Modified LSD (version 1) of Proynov and Salahub",
XC_FAMILY_LDA,
"EI Proynov and D Salahub, Phys. Rev. B 49, 7874 (1994)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 0.0, 0.0, 1e-32,
lda_c_ml1_init,
NULL,
work_lda,
NULL,
NULL
};
const XC(func_info_type) XC(func_info_lda_c_ml2) = {
XC_LDA_C_ML2,
XC_CORRELATION,
"Modified LSD (version 2) of Proynov and Salahub",
XC_FAMILY_LDA,
"EI Proynov and D Salahub, Phys. Rev. B 49, 7874 (1994)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 0.0, 0.0, 1e-32,
lda_c_ml1_init,
NULL,
work_lda,
NULL,
NULL
};
libxc-2.1.2/src/gga_x_pw86.c 0000664 0001750 0001750 00000007255 12471363260 012461 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_PW86 108 /* Perdew & Wang 86 */
#define XC_GGA_X_RPW86 144 /* refitted Perdew & Wang 86 */
#define XC_GGA_K_FR_PW86 515 /* Fuentealba & Reyes (PW86 version) */
typedef struct{
FLOAT aa, bb, cc;
} gga_x_pw86_params;
static void
gga_x_pw86_init(XC(func_type) *p)
{
switch(p->info->number){
case XC_GGA_X_RPW86: p->func = 1; break;
case XC_GGA_K_FR_PW86: p->func = 2; break;
default: p->func = 0; /* original PW86 */
}
}
inline void
XC(gga_x_pw86_enhance)(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
static const gga_x_pw86_params par[3] = {
{ 1.296, 14.0, 0.2},
{15*0.1234, 17.33, 0.163},
{ 2.208, 9.27, 0.2}
};
FLOAT ss, ss2, ss4, DD, dDD, d2DD, d3DD, aux;
/* sanity check: do we have a valid functional */
assert(p->func==0 || p->func==1 || p->func==2);
ss = X2S*x;
ss2 = ss*ss;
ss4 = ss2*ss2;
DD = 1.0 + par[p->func].aa*ss2 + par[p->func].bb*ss4 + par[p->func].cc*ss4*ss2;
aux = POW(DD, 1.0/15.0);
*f = aux;
if(order < 1) return;
dDD = ss*(2.0*par[p->func].aa + 4.0*par[p->func].bb*ss2 + 6.0*par[p->func].cc*ss4);
*dfdx = X2S*dDD*aux/(15.0*DD);
if(order < 2) return;
d2DD = 2.0*par[p->func].aa + 4.0*3.0*par[p->func].bb*ss2 + 6.0*5.0*par[p->func].cc*ss4;
*d2fdx2 = X2S*X2S*aux*(15.0*DD*d2DD - 14.0*dDD*dDD)/(225.0*DD*DD);
if(order < 3) return;
d3DD = 4.0*3.0*2.0*par[p->func].bb*ss + 6.0*5.0*4.0*par[p->func].cc*ss*ss2;
*d3fdx3 = X2S*X2S*X2S*aux*(406.0*dDD*dDD*dDD - 630.0*DD*dDD*d2DD + 225.0*DD*DD*d3DD)/(3375.0*DD*DD*DD);
}
#define func XC(gga_x_pw86_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_pw86) = {
XC_GGA_X_PW86,
XC_EXCHANGE,
"Perdew & Wang 86",
XC_FAMILY_GGA,
"JP Perdew and Y Wang, Phys. Rev. B 33, 8800 (1986)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pw86_init, NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_rpw86) = {
XC_GGA_X_RPW86,
XC_EXCHANGE,
"Refitted Perdew & Wang 86",
XC_FAMILY_GGA,
"ED Murray, K Lee and DC Langreth, J. Chem. Theory Comput. 5, 2754-2762 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pw86_init, NULL, NULL,
work_gga_x,
NULL
};
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_fr_pw86) = {
XC_GGA_K_FR_PW86,
XC_KINETIC,
"Fuentealba & Reyes (PW86 version)",
XC_FAMILY_GGA,
"P Fuentealba and O Reyes, Chem. Phys. Lett. 232, 31-34 (1995)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_pw86_init, NULL, NULL,
work_gga_k,
NULL
};
libxc-2.1.2/src/gga_c_wi.c 0000664 0001750 0001750 00000010053 12471363260 012235 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_C_WI0 153 /* Wilson & Ivanov initial version */
#define XC_GGA_C_WI 148 /* Wilson & Ivanov */
static void
gga_c_wi_init(XC(func_type) *p)
{
switch(p->info->number){
case XC_GGA_C_WI0: p->func = 0; break;
case XC_GGA_C_WI: p->func = 1; break;
default:
fprintf(stderr, "Internal error in gga_c_wi\n");
exit(1);
}
}
static inline void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
static struct {
FLOAT a, b, c, d, k;
} *par, wi_par[2] = {{-0.44, 0.0032407, 7.8, 0.0073, 0.000311},
{-0.00652, 0.0007, 0.21, 0.002, 0.001}};
FLOAT xt0, xt2, xt52, xt72, cnst_rs, aux;
FLOAT num, den, ddendrs, dnumdxt, ddendxt, d2dendrsxt, d2numdxt2, d2dendxt2, d3dendrsxt2, d3dendxt3, d3numdxt3;
par = &(wi_par[p->func]);
cnst_rs = CBRT(4.0*M_PI/3.0);
xt2 = r->xt*r->xt;
xt0 = SQRT(r->xt);
xt52 = xt2*xt0;
xt72 = r->xt*xt52;
aux = EXP(-par->k*xt2);
num = par->a + par->b*xt2*aux;
den = par->c + r->rs*(1.0 + par->d*cnst_rs*xt72);
r->f = num/den;
if(r->order < 1) return;
ddendrs = 1.0 + par->d*cnst_rs*xt72;
ddendxt = 7.0/2.0*par->d*cnst_rs*r->rs*xt52;
dnumdxt = -2.0*par->b*r->xt*(par->k*xt2 - 1.0)*aux;
r->dfdrs = DFRACTION(num, 0.0, den, ddendrs);
r->dfdxt = DFRACTION(num, dnumdxt, den, ddendxt);
if(r->order < 2) return;
d2dendrsxt = 7.0/2.0*par->d*cnst_rs*xt52;
d2dendxt2 = 5.0*ddendxt/(2.0*r->xt);
d2numdxt2 = par->b*(2.0 + 2.0*par->k*xt2*(2.0*par->k*xt2 - 5.0))*aux;
r->d2fdrs2 = D2FRACTION(num, 0.0, 0.0, den, ddendrs, 0.0);
r->d2fdrsxt = ((-den*dnumdxt + 2.0*num*ddendxt)*ddendrs - den*num*d2dendrsxt)/(den*den*den);
r->d2fdxt2 = D2FRACTION(num, dnumdxt, d2numdxt2, den, ddendxt, d2dendxt2);
if(r->order < 3) return;
d3dendrsxt2 = 5.0*d2dendrsxt/(2.0*r->xt);
d3dendxt3 = 3.0*d2dendxt2 /(2.0*r->xt);
d3numdxt3 = -4.0*par->b*par->k*r->xt*(6.0 + par->k*xt2*(2.0*par->k*xt2 - 9.0))*aux;
r->d3fdrs3 = D3FRACTION(num, 0.0, 0.0, 0.0, den, ddendrs, 0.0, 0.0);
r->d3fdrs2xt = (- 6.0*num*ddendxt*ddendrs*ddendrs
+ 2.0*den*(dnumdxt*ddendrs*ddendrs + num*2.0*ddendrs*d2dendrsxt))/(den*den*den*den);
r->d3fdrsxt2 = (- 6.0*num*ddendxt*ddendxt*ddendrs
+ 2.0*den*((2.0*dnumdxt*ddendxt + num*d2dendxt2)*ddendrs + 2.0*num*ddendxt*d2dendrsxt)
- den*den*(d2numdxt2*ddendrs + 2.0*dnumdxt*d2dendrsxt + num*d3dendrsxt2))/(den*den*den*den);
r->d3fdxt3 = D3FRACTION(num, dnumdxt, d2numdxt2, d3numdxt3, den, ddendxt, d2dendxt2, d3dendxt3);
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_wi0) = {
XC_GGA_C_WI0,
XC_CORRELATION,
"Wilson & Ivanov initial version",
XC_FAMILY_GGA,
"LC Wilson & S Ivanov, Int. J. Quantum Chem. 69, 523-532 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_c_wi_init,
NULL, NULL,
work_gga_c,
NULL
};
const XC(func_info_type) XC(func_info_gga_c_wi) = {
XC_GGA_C_WI,
XC_CORRELATION,
"Wilson & Ivanov",
XC_FAMILY_GGA,
"LC Wilson & S Ivanov, Int. J. Quantum Chem. 69, 523-532 (1998)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_c_wi_init,
NULL, NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/util.c 0000664 0001750 0001750 00000011451 12471363260 011456 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
/* this function converts the spin-density into total density and
relative magnetization */
/* inline */ void
XC(rho2dzeta)(int nspin, const FLOAT *rho, FLOAT *d, FLOAT *zeta)
{
if(nspin==XC_UNPOLARIZED){
*d = max(rho[0], 0.0);
*zeta = 0.0;
}else{
*d = rho[0] + rho[1];
if(*d > 0.0){
*zeta = (rho[0] - rho[1])/(*d);
*zeta = min(*zeta, 1.0);
*zeta = max(*zeta, -1.0);
}else{
*d = 0.0;
*zeta = 0.0;
}
}
}
/* inline */ void
XC(fast_fzeta)(const FLOAT x, const int nspin, const int order, FLOAT * fz){
FLOAT aa, bb, aa2, bb2;
if(nspin != XC_UNPOLARIZED){
aa = CBRT(1.0 + x);
bb = CBRT(1.0 - x);
aa2 = aa*aa;
bb2 = bb*bb;
fz[0] = (aa2*aa2 + bb2*bb2 - 2.0)/FZETAFACTOR;
if(order < 1) return;
fz[1] = (aa - bb)*(4.0/3.0)/FZETAFACTOR;
if(order < 2) return;
fz[2] = ((4.0/9.0)/FZETAFACTOR)*(ABS(x)==1.0 ? (FLT_MAX) : (pow(1.0 + (x), -2.0/3.0) + pow(1.0 - (x), -2.0/3.0)));
if(order < 3) return;
fz[3] = (-(8.0/27.0)/FZETAFACTOR)*(ABS(x)==1.0 ? (FLT_MAX) : (pow(1.0 + (x), -5.0/3.0) - pow(1.0 - (x), -5.0/3.0)));
} else {
fz[0] = 0.0;
fz[1] = 0.0;
fz[2] = (8.0/9.0)/FZETAFACTOR;
fz[3] = 0.0;
}
}
/* initializes the mixing */
void
XC(mix_init)(XC(func_type) *p, int n_funcs, const int *funcs_id, const FLOAT *mix_coef)
{
int ii;
assert(p != NULL);
assert(p->func_aux == NULL && p->mix_coef == NULL);
/* allocate structures needed for */
p->n_func_aux = n_funcs;
p->mix_coef = (FLOAT *) malloc(n_funcs*sizeof(FLOAT));
p->func_aux = (XC(func_type) **) malloc(n_funcs*sizeof(XC(func_type) *));
for(ii=0; iimix_coef[ii] = mix_coef[ii];
p->func_aux[ii] = (XC(func_type) *) malloc(sizeof(XC(func_type)));
XC(func_init) (p->func_aux[ii], funcs_id[ii], p->nspin);
}
/* initialize variables */
p->cam_omega=0.0;
p->cam_alpha=0.0;
p->cam_beta=0.0;
}
xc_gga_enhancement_t
XC(get_gga_enhancement_factor)(int func_id)
{
switch(func_id){
case XC_GGA_X_WC:
return XC(gga_x_wc_enhance);
case XC_GGA_X_PBE:
case XC_GGA_X_PBE_R:
case XC_GGA_X_PBE_SOL:
case XC_GGA_X_XPBE:
case XC_GGA_X_PBE_JSJR:
case XC_GGA_X_PBEK1_VDW:
case XC_GGA_X_RGE2:
case XC_GGA_X_APBE:
case XC_GGA_X_PBEINT:
case XC_GGA_X_PBE_TCA:
return XC(gga_x_pbe_enhance);
case XC_GGA_X_PW91:
case XC_GGA_X_MPW91:
return XC(gga_x_pw91_enhance);
case XC_GGA_X_RPBE:
return XC(gga_x_rpbe_enhance);
case XC_GGA_X_HTBS:
return XC(gga_x_htbs_enhance);
case XC_GGA_X_B86:
return XC(gga_x_b86_enhance);
case XC_GGA_X_B86_MGC:
return XC(gga_x_b86_mgc_enhance);
case XC_GGA_X_B88:
case XC_GGA_X_OPTB88_VDW:
case XC_GGA_X_MB88:
return XC(gga_x_b88_enhance);
case XC_GGA_X_G96:
return XC(gga_x_g96_enhance);
case XC_GGA_X_PW86:
case XC_GGA_X_RPW86:
return XC(gga_x_pw86_enhance);
case XC_GGA_X_AIRY:
case XC_GGA_X_LAG:
return XC(gga_x_airy_enhance);
case XC_GGA_X_BAYESIAN:
return XC(gga_x_bayesian_enhance);
case XC_GGA_X_BPCCAC:
return XC(gga_x_bpccac_enhance);
case XC_GGA_X_C09X:
return XC(gga_x_c09x_enhance);
case XC_GGA_X_AM05:
return XC(gga_x_am05_enhance);
case XC_GGA_X_DK87_R1:
case XC_GGA_X_DK87_R2:
return XC(gga_x_dk87_enhance);
case XC_GGA_X_HERMAN:
return XC(gga_x_herman_enhance);
case XC_GGA_X_LG93:
return XC(gga_x_lg93_enhance);
case XC_GGA_X_LV_RPW86:
return XC(gga_x_lv_rpw86_enhance);
case XC_GGA_X_MPBE:
return XC(gga_x_mpbe_enhance);
case XC_GGA_X_OPTX:
return XC(gga_x_optx_enhance);
case XC_GGA_X_SOGGA11:
case XC_HYB_GGA_X_SOGGA11_X:
return XC(gga_x_sogga11_enhance);
case XC_GGA_X_SSB_SW:
case XC_GGA_X_SSB:
case XC_GGA_X_SSB_D:
return XC(gga_x_ssb_sw_enhance);
case XC_GGA_X_VMT_PBE:
case XC_GGA_X_VMT_GE:
case XC_GGA_X_VMT84_PBE:
case XC_GGA_X_VMT84_GE:
return XC(gga_x_vmt_enhance);
default:
fprintf(stderr, "Internal error in get_gga_enhancement\n");
exit(1);
}
}
libxc-2.1.2/src/gga_x_wc.c 0000664 0001750 0001750 00000005001 12471363260 012251 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_WC 118 /* Wu & Cohen */
static FLOAT wc_mu, wc_c;
static void
gga_x_wc_init(XC(func_type) *p_)
{
wc_mu = 0.2195149727645171;
wc_c = (146.0/2025.0)*(4.0/9.0) - (73.0/405.0)*(2.0/3.0) + (wc_mu - 10.0/81.0);
}
void XC(gga_x_wc_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
const FLOAT kappa = 0.8040;
FLOAT ss, ss2;
FLOAT aux1, aux2, f0, df0, d2f0, d3f0, dd;
ss = X2S*x;
ss2 = ss*ss;
aux1 = wc_mu - 10.0/81.0;
aux2 = EXP(-ss2);
f0 = kappa + 10.0/81.0*ss2 + ss2*aux1*aux2 + LOG(1.0 + wc_c*ss2*ss2);
*f = 1.0 + kappa*(1.0 - kappa/f0);
if(order < 1) return;
dd = 1.0 + wc_c*ss2*ss2;
df0 = 20.0/81.0*ss + 2.0*ss*aux1*aux2*(1.0 - ss2) + 4.0*wc_c*ss*ss2/dd;
*dfdx = kappa*kappa*df0/(f0*f0);
*dfdx *= X2S;
if(order < 2) return;
d2f0 = 20.0/81.0 + 2.0*aux1*aux2*(1.0 - 5.0*ss2 + 2.0*ss2*ss2)
- 4.0*wc_c*ss2*(dd - 4.0)/(dd*dd);
*d2fdx2 = -kappa*kappa*(2.0*df0*df0 - d2f0*f0)/(f0*f0*f0);
*d2fdx2 *= X2S*X2S;
if(order < 3) return;
d3f0 = -4.0*aux1*aux2*ss*(6.0 - 9.0*ss2 + 2.0*ss2*ss2) +
8.0*wc_c*ss*(3.0 + wc_c*ss2*ss2*(wc_c*ss2*ss2 - 12.0))/(dd*dd*dd);
*d3fdx3 = kappa*kappa*(6.0*df0*df0*df0 - 6.0*f0*df0*d2f0 + f0*f0*d3f0)/(f0*f0*f0*f0);
*d3fdx3 *= X2S*X2S*X2S;
}
#define func XC(gga_x_wc_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_wc) = {
XC_GGA_X_WC,
XC_EXCHANGE,
"Wu & Cohen",
XC_FAMILY_GGA,
"Z Wu and RE Cohen, Phys. Rev. B 73, 235116 (2006)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_wc_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/lda.c 0000664 0001750 0001750 00000013414 12471363260 011242 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include
#include "util.h"
#include "funcs_lda.c"
/* initialization */
int
XC(lda_init)(XC(func_type) *func, const XC(func_info_type) *info, int nspin)
{
assert(func != NULL);
/* initialize structure */
func->info = info;
func->nspin = nspin;
func->params = NULL;
func->func = 0;
/* initialize spin counters */
func->n_rho = func->n_vrho = func->nspin;
func->n_zk = 1;
if(func->nspin == XC_UNPOLARIZED){
func->n_v2rho2 = func->n_v3rho3 = 1;
}else{
func->n_v2rho2 = 3;
func->n_v3rho3 = 4;
}
/* see if we need to initialize the functional */
if(func->info->init != NULL)
func->info->init(func);
return 0;
}
/* termination */
void
XC(lda_end)(XC(func_type) *func)
{
assert(func != NULL);
if(func->info->end != NULL)
func->info->end(func);
/* deallocate any used parameter */
if(func->params != NULL){
free(func->params);
func->params = NULL;
}
}
/* get the lda functional */
void
XC(lda)(const XC(func_type) *func, int np, const FLOAT *rho,
FLOAT *zk, FLOAT *vrho, FLOAT *v2rho2, FLOAT *v3rho3)
{
assert(func != NULL);
/* sanity check */
if(zk != NULL && !(func->info->flags & XC_FLAGS_HAVE_EXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of Exc",
func->info->name);
exit(1);
}
if(vrho != NULL && !(func->info->flags & XC_FLAGS_HAVE_VXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of vxc",
func->info->name);
exit(1);
}
if(v2rho2 != NULL && !(func->info->flags & XC_FLAGS_HAVE_FXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of fxc",
func->info->name);
exit(1);
}
if(v3rho3 != NULL && !(func->info->flags & XC_FLAGS_HAVE_KXC)){
fprintf(stderr, "Functional '%s' does not provide an implementation of kxc",
func->info->name);
exit(1);
}
/* initialize output */
if(zk != NULL)
memset(zk, 0, np*sizeof(FLOAT)*func->n_zk);
if(vrho != NULL)
memset(vrho, 0, np*sizeof(FLOAT)*func->n_vrho);
if(v2rho2 != NULL)
memset(v2rho2, 0, np*sizeof(FLOAT)*func->n_v2rho2);
if(v3rho3 != NULL)
memset(v3rho3, 0, np*sizeof(FLOAT)*func->n_v3rho3);
assert(func->info!=NULL && func->info->lda!=NULL);
/* call the LDA routines */
func->info->lda(func, np, rho, zk, vrho, v2rho2, v3rho3);
}
/* specializations */
inline void
XC(lda_exc)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *zk)
{
XC(lda)(p, np, rho, zk, NULL, NULL, NULL);
}
inline void
XC(lda_exc_vxc)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *zk, FLOAT *vrho)
{
XC(lda)(p, np, rho, zk, vrho, NULL, NULL);
}
inline void
XC(lda_vxc)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *vrho)
{
XC(lda)(p, np, rho, NULL, vrho, NULL, NULL);
}
inline void
XC(lda_fxc)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *v2rho2)
{
XC(lda)(p, np, rho, NULL, NULL, v2rho2, NULL);
}
inline void
XC(lda_kxc)(const XC(func_type) *p, int np, const FLOAT *rho, FLOAT *v3rho3)
{
XC(lda)(p, np, rho, NULL, NULL, NULL, v3rho3);
}
#ifdef SINGLE_PRECISION
# define DELTA_RHO 1e-4
#else
# define DELTA_RHO 1e-6
#endif
/* get the xc kernel through finite differences */
void
XC(lda_fxc_fd)(const XC(func_type) *func, int np, const FLOAT *rho, FLOAT *v2rho2)
{
int i, ip;
assert(func != NULL);
for(ip=0; ipnspin; i++){
FLOAT rho2[2], vc1[2], vc2[2];
int j, js;
j = (i+1) % 2;
js = (i==0) ? 0 : 2;
rho2[i] = rho[i] + DELTA_RHO;
rho2[j] = (func->nspin == XC_POLARIZED) ? rho[j] : 0.0;
XC(lda_vxc)(func, 1, rho2, vc1);
if(rho[i]<2.0*DELTA_RHO){ /* we have to use a forward difference */
XC(lda_vxc)(func, 1, rho, vc2);
v2rho2[js] = (vc1[i] - vc2[i])/(DELTA_RHO);
if(func->nspin == XC_POLARIZED && i==0)
v2rho2[1] = (vc1[j] - vc2[j])/(DELTA_RHO);
}else{ /* centered difference (more precise) */
rho2[i] = rho[i] - DELTA_RHO;
XC(lda_vxc)(func, 1, rho2, vc2);
v2rho2[js] = (vc1[i] - vc2[i])/(2.0*DELTA_RHO);
if(func->nspin == XC_POLARIZED && i==0)
v2rho2[1] = (vc1[j] - vc2[j])/(2.0*DELTA_RHO);
}
}
rho += func->n_rho;
v2rho2 += func->n_v2rho2;
} /* for(ip) */
}
void
XC(lda_kxc_fd)(const XC(func_type) *func, int np, const FLOAT *rho, FLOAT *v3rho3)
{
/* Kxc, this is a third order tensor with respect to the densities */
int ip, i, j, n;
assert(func != NULL);
for(ip=0; ipnspin; i++){
FLOAT rho2[2], vc1[2], vc2[2], vc3[2];
for(n=0; nnspin; n++) rho2[n] = rho[n];
XC(lda_vxc)(func, 1, rho, vc2);
rho2[i] += DELTA_RHO;
XC(lda_vxc)(func, 1, rho2, vc1);
rho2[i] -= 2.0*DELTA_RHO;
XC(lda_vxc)(func, 1, rho2, vc3);
for(j=0; jnspin; j++)
v3rho3[i*func->nspin + j] = (vc1[j] - 2.0*vc2[j] + vc3[j])/(DELTA_RHO*DELTA_RHO);
}
rho += func->n_rho;
v3rho3 += func->n_v3rho3;
} /* for(ip) */
}
libxc-2.1.2/src/gga_x_2d_b86.c 0000664 0001750 0001750 00000003513 12471363260 012632 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_2D_B86 128 /* Becke 86 Xalfa,beta,gamma */
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT beta=0.002105, gamma=0.000119;
FLOAT f1, f2, df1, df2, d2f1, d2f2;
f1 = 1.0 + beta*x*x;
f2 = 1.0 + gamma*x*x;
*f = f1/f2;
if(order < 1) return;
df1 = 2.0*beta*x;
df2 = 2.0*gamma*x;
*dfdx = (df1*f2 - f1*df2)/(f2*f2);
if(order < 2) return;
d2f1 = 2.0*beta;
d2f2 = 2.0*gamma;
*d2fdx2 = (2.0*f1*df2*df2 + d2f1*f2*f2 - f2*(2.0*df1*df2 + f1*d2f2))/(f2*f2*f2);
}
#define XC_DIMENSIONS 2
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_2d_b86) = {
XC_GGA_X_2D_B86,
XC_EXCHANGE,
"Becke 86 in 2D",
XC_FAMILY_GGA,
"G Vilhena and MAL Marques, unpublished\n"
"AD Becke, J. Chem. Phys 84, 4524 (1986)",
XC_FLAGS_2D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-18, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/mgga_c_m08.c 0000664 0001750 0001750 00000021727 12471363260 012411 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_C_M08_HX 78 /* M08-HX functional of Minnesota */
#define XC_MGGA_C_M08_SO 77 /* M08-SO functional of Minnesota */
#define XC_MGGA_C_M11 76 /* M11 functional of Minnesota */
#define XC_MGGA_C_M11_L 75 /* M11-L functional of Minnesota */
#define XC_MGGA_C_MN12_L 74 /* MN12-L functional of Minnesota */
#define XC_MGGA_C_MN12_SX 73 /* MN12-SX functional of Minnesota */
static const FLOAT a_m08_hx[12] = {
1.0000000e+00, -4.0661387e-01, -3.3232530e+00, 1.5540980e+00, 4.4248033e+01, -8.4351930e+01,
-1.1955581e+02, 3.9147081e+02, 1.8363851e+02, -6.3268223e+02, -1.1297403e+02, 3.3629312e+02
};
static const FLOAT b_m08_hx[12] = {
1.3812334e+00, -2.4683806e+00, -1.1901501e+01, -5.4112667e+01, 1.0055846e+01, 1.4800687e+02,
1.1561420e+02, 2.5591815e+02, 2.1320772e+02, -4.8412067e+02, -4.3430813e+02, 5.6627964e+01
};
static const FLOAT a_m08_so[12] = {
1.0000000e+00, 0.0000000e+00, -3.9980886e+00, 1.2982340e+01, 1.0117507e+02, -8.9541984e+01,
-3.5640242e+02, 2.0698803e+02, 4.6037780e+02, -2.4510559e+02, -1.9638425e+02, 1.1881459e+02
};
static const FLOAT b_m08_so[12] = {
1.0000000e+00, -4.4117403e+00, -6.4128622e+00, 4.7583635e+01, 1.8630053e+02, -1.2800784e+02,
-5.5385258e+02, 1.3873727e+02, 4.1646537e+02, -2.6626577e+02, 5.6676300e+01, 3.1673746e+02
};
static const FLOAT a_m11[12] = {
1.0000000e+00, 0.0000000e+00, -3.8933250e+00, -2.1688455e+00, 9.3497200e+00, -1.9845140e+01,
2.3455253e+00, 7.9246513e+01, 9.6042757e+00, -6.7856719e+01, -9.1841067e+00, 0.0000000e+00
};
static const FLOAT b_m11[12] = {
7.2239798e-01, 4.3730564e-01, -1.6088809e+01, -6.5542437e+01, 3.2057230e+01, 1.8617888e+02,
2.0483468e+01, -7.0853739e+01, 4.4483915e+01, -9.4484747e+01, -1.1459868e+02, 0.0000000e+00
};
static const FLOAT a_m11_l[12] = {
1.000000e+00, 0.000000e+00, 2.750880e+00, -1.562287e+01, 9.363381e+00, 2.141024e+01,
-1.424975e+01, -1.134712e+01, 1.022365e+01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT b_m11_l[12] = {
1.000000e+00, -9.082060e+00, 6.134682e+00, -1.333216e+01, -1.464115e+01, 1.713143e+01,
2.480738e+00, -1.007036e+01, -1.117521e-01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT a_mn12_l[12] = {
8.844610e-01, -2.202279e-01, 5.701372e+00, -2.562378e+00, -9.646827e-01, 1.982183e-01,
1.019976e+01, 9.789352e-01, -1.512722e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT b_mn12_l[12] = {
5.323948e-01, -5.831909e+00, 3.882386e+00, 5.878488e+00, 1.493228e+01, -1.374636e+01,
-8.492327e+00, -2.486548e+00, -1.822346e+01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT a_mn12_sx[12] = {
7.171161e-01, -2.380914e+00, 5.793565e+00, -1.243624e+00, 1.364920e+01, -2.110812e+01,
-1.598767e+01, 1.429208e+01, 6.149191e+00, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
static const FLOAT b_mn12_sx[12] = {
4.663699e-01, -9.110685e+00, 8.705051e+00, -1.813949e+00, -4.147211e-01, -1.021527e+01,
8.240270e-01, 4.993815e+00, -2.563930e+01, 0.000000e+00, 0.000000e+00, 0.000000e+00
};
typedef struct{
const FLOAT *a, *b;
} mgga_c_m08_params;
static void
mgga_c_m08_init(XC(func_type) *p)
{
mgga_c_m08_params *params;
assert(p != NULL);
p->n_func_aux = 2;
p->func_aux = (XC(func_type) **) malloc(2*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
p->func_aux[1] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_LDA_C_PW_MOD, p->nspin);
XC(func_init)(p->func_aux[1], XC_GGA_C_PBE, p->nspin);
assert(p->params == NULL);
p->params = malloc(sizeof(mgga_c_m08_params));
params = (mgga_c_m08_params *) (p->params);
switch(p->info->number){
case XC_MGGA_C_M08_HX:
params->a = a_m08_hx;
params->b = b_m08_hx;
break;
case XC_MGGA_C_M08_SO:
params->a = a_m08_so;
params->b = b_m08_so;
break;
case XC_MGGA_C_M11:
params->a = a_m11;
params->b = b_m11;
break;
case XC_MGGA_C_M11_L:
params->a = a_m11_l;
params->b = b_m11_l;
break;
case XC_MGGA_C_MN12_L:
params->a = a_mn12_l;
params->b = b_mn12_l;
break;
case XC_MGGA_C_MN12_SX:
params->a = a_mn12_sx;
params->b = b_mn12_sx;
break;
default:
fprintf(stderr, "Internal error in mgga_c_m08\n");
exit(1);
}
}
static void
func(const XC(func_type) *pt, XC(mgga_work_c_t) *r)
{
mgga_c_m08_params *params;
XC(gga_work_c_t) pbe;
XC(lda_work_t) pw;
FLOAT t, dtdz, dtdts[2], opz, omz, opz13, omz13, opz23, omz23;
FLOAT fw1, fw2, dfw1dt, dfw2dt;
assert(pt != NULL && pt->params != NULL);
params = (mgga_c_m08_params *) (pt->params);
pw.order = r->order;
pw.rs[0] = SQRT(r->rs);
pw.rs[1] = r->rs;
pw.rs[2] = r->rs*r->rs;
pw.zeta = r->zeta;
XC(lda_c_pw_func)(pt->func_aux[0], &pw);
pbe.order = r->order;
pbe.rs = r->rs;
pbe.zeta = r->zeta;
pbe.xt = r->xt;
pbe.xs[0] = r->xs[0];
pbe.xs[1] = r->xs[1];
XC(gga_c_pbe_func)(pt->func_aux[1], &pbe);
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
opz13 = CBRT(opz); opz23 = opz13*opz13;
omz13 = CBRT(omz); omz23 = omz13*omz13;
/* the 0.5 was chosen to get the right K_FACTOR_C in mgga_series_w */
t = 0.5*(r->ts[0]*opz*opz23 + r->ts[1]*omz*omz23);
XC(mgga_series_w)(r->order, 12, params->a, t, &fw1, &dfw1dt);
XC(mgga_series_w)(r->order, 12, params->b, t, &fw2, &dfw2dt);
pbe.f -= pw.zk;
r->f = fw1*pw.zk + fw2*pbe.f;
if(r->order < 1) return;
dtdz = (5.0/6.0)*(r->ts[0]*opz23 - r->ts[1]*omz23);
dtdts[0] = 0.5*opz*opz23;
dtdts[1] = 0.5*omz*omz23;
pbe.dfdrs -= pw.dedrs;
pbe.dfdz -= pw.dedz;
r->dfdrs = fw1*pw.dedrs + fw2*pbe.dfdrs;
r->dfdz = fw1*pw.dedz + fw2*pbe.dfdz + (dfw1dt*pw.zk + dfw2dt*pbe.f)*dtdz;
r->dfdxt = fw2*pbe.dfdxt;
r->dfdxs[0] = fw2*pbe.dfdxs[0];
r->dfdxs[1] = fw2*pbe.dfdxs[1];
r->dfdus[0] = 0.0;
r->dfdus[1] = 0.0;
r->dfdts[0] = (dfw1dt*pw.zk + dfw2dt*pbe.f)*dtdts[0];
r->dfdts[1] = (dfw1dt*pw.zk + dfw2dt*pbe.f)*dtdts[1];
if(r->order < 2) return;
}
#include "work_mgga_c.c"
XC(func_info_type) XC(func_info_mgga_c_m08_hx) = {
XC_MGGA_C_M08_HX,
XC_EXCHANGE,
"M08-HX functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, J. Chem. Theory Comput. 4, 1849-1868 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_m08_so) = {
XC_MGGA_C_M08_SO,
XC_EXCHANGE,
"M08-SO functional of Minnesota",
XC_FAMILY_MGGA,
"Y Zhao and DG Truhlar, J. Chem. Theory Comput. 4, 1849-1868 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_m11) = {
XC_MGGA_C_M11,
XC_EXCHANGE,
"M11 functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati, and DG Truhlar, J. Phys. Chem. Lett. 2, 2810 (2011)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_m11_l) = {
XC_MGGA_C_M11_L,
XC_EXCHANGE,
"M11-L functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati, and DG Truhlar, J. Phys. Chem. Lett. 3, 117 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_mn12_l) = {
XC_MGGA_C_MN12_L,
XC_CORRELATION,
"MN12-L functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati and DG Truhlar, Phys. Chem. Chem. Phys. 14, 13171-13174 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
XC(func_info_type) XC(func_info_mgga_c_mn12_sx) = {
XC_MGGA_C_MN12_SX,
XC_CORRELATION,
"MN12-SX functional of Minnesota",
XC_FAMILY_MGGA,
"R Peverati and DG Truhlar, Phys. Chem. Chem. Phys. 14, accepted (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_m08_init,
NULL, NULL, NULL,
work_mgga_c,
};
libxc-2.1.2/src/gga_x_sfat.c 0000664 0001750 0001750 00000007133 12471363260 012605 0000000 0000000 /*
Copyright (C) 2013 Rolf Wuerdemann, M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_SFAT 530 /* short-range recipe for exchange GGA functionals */
/* see
* Savin, Flad, Int. Jour. of Quant. Chem. Vol. 56, 327-332 (1995)
* Akinaga, Ten-no, Chem. Phys. Lett. 462 (2008) 348-351
*/
typedef struct{
int func_id;
xc_gga_enhancement_t enhancement_factor;
} gga_x_sfat_params;
static void
gga_x_sfat_init(XC(func_type) *p)
{
assert(p->params == NULL);
p->params = malloc(sizeof(gga_x_sfat_params));
/* random functional, mainly intended for testing */
((gga_x_sfat_params *) (p->params))->func_id = -1;
XC(gga_x_sfat_set_params)(p, XC_GGA_X_B88, 0.44);
}
void
XC(gga_x_sfat_set_params)(XC(func_type) *p, int func_id, FLOAT omega)
{
gga_x_sfat_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_sfat_params *) (p->params);
p->cam_omega = omega;
/* if func_id == -1 do nothing */
if(func_id != -1 && params->func_id == -1){ /* intialize stuff */
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc(sizeof(XC(func_type) ));
}
if(func_id != -1 && params->func_id != func_id){
if(params->func_id != -1)
XC(func_end) (p->func_aux[0]);
params->func_id = func_id;
XC(func_init) (p->func_aux[0], params->func_id, p->nspin);
params->enhancement_factor = XC(get_gga_enhancement_factor)(func_id);
}
}
#define HEADER 3
static inline void
func(const XC(func_type) *p, int order, FLOAT x, FLOAT ds,
FLOAT *f, FLOAT *dfdx, FLOAT *lvrho)
{
gga_x_sfat_params *params;
FLOAT e_f, e_dfdx, e_d2fdx2;
FLOAT k_GGA, K_GGA, aa, f_aa, df_aa, d2f_aa, d3f_aa;
FLOAT dk_GGAdr, dk_GGAdx, daadr, daadx;
assert(p != NULL && p->params != NULL);
params = (gga_x_sfat_params *) (p->params);
/* call enhancement factor */
params->enhancement_factor(p->func_aux[0], order, x, &e_f, &e_dfdx, &e_d2fdx2, NULL);
K_GGA = 2.0*X_FACTOR_C*e_f;
k_GGA = SQRT(9.0*M_PI/K_GGA)*CBRT(ds);
aa = p->cam_omega/(2.0*k_GGA);
XC(lda_x_attenuation_function)(XC_RSF_YUKAWA, order, aa, &f_aa, &df_aa, &d2f_aa, &d3f_aa);
*f = e_f*f_aa;
if(order < 1) return;
dk_GGAdr = k_GGA/(3.0*ds);
dk_GGAdx = -k_GGA*e_dfdx/(2.0*e_f);
daadr = -aa*dk_GGAdr/k_GGA;
daadx = -aa*dk_GGAdx/k_GGA;
*dfdx = e_dfdx*f_aa + e_f*df_aa*daadx;
*lvrho = e_f*df_aa*daadr;
}
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_sfat) = {
XC_GGA_X_SFAT,
XC_EXCHANGE,
"Short-range recipe for exchange GGA functionals - Yukawa",
XC_FAMILY_GGA,
"A Savin, H-J Flad, J. of Quant. Chem. 56, 327-332 (1995)\n"
"Y Akinaga, S Ten-no, Chem. Phys. Lett. 462, 348-351 (2008)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_sfat_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/gga_k_pearson.c 0000664 0001750 0001750 00000003524 12471363260 013302 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_K_PEARSON 511 /* Pearson */
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT ss, ss2, ss6, denom;
ss = X2S*x;
ss2 = ss*ss;
ss6 = ss2*ss2*ss2;
denom = 1.0 + ss6;
*f = 1.0 + 5.0/27.0 * ss2/denom;
if(order < 1) return;
*dfdx = X2S*5.0/27.0 * 2.0*ss*(1.0 - 2.0*ss6)/(denom*denom);
if(order < 2) return;
*d2fdx2 = X2S*X2S*5.0/27.0 * (2.0 - 50.0*ss6 + 20.0*ss6*ss6)/(denom*denom*denom);
}
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_pearson) = {
XC_GGA_K_PEARSON,
XC_KINETIC,
"Pearson 1992",
XC_FAMILY_GGA,
"DJ Lacks and RG Gordon, J. Chem. Phys. 100, 4446 (1994)\n"
"E W Pearson and R G Gordon, J. Chem. Phys. 82, 881 (1985)\n"
"E W Pearson, Ph.D. thesis, Harvard University (1983)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_k,
NULL
};
libxc-2.1.2/src/lda_c_rpa.c 0000664 0001750 0001750 00000004027 12471363260 012406 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include "util.h"
/************************************************************************
Random Phase Approximation (RPA)
************************************************************************/
#define XC_LDA_C_RPA 3 /* Random Phase Approximation */
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
static FLOAT a = 0.0311, b = -0.048, c = 0.009, d = -0.017;
FLOAT lrs;
lrs = LOG(r->rs[1]);
r->zk = a*lrs + b + c*r->rs[1]*lrs + d*r->rs[1];
if(r->order < 1) return;
r->dedrs = a/r->rs[1] + c*(lrs + 1.0) + d;
/* no spin polarization for the moment */
r->dedz = 0.0;
if(r->order < 2) return;
r->d2edrs2 = -a/r->rs[2] + c/r->rs[1];
r->d2edrsz = r->d2edz2 = 0.0;
if(r->order < 3) return;
r->d3edrs3 = 2.0*a/(r->rs[1]*r->rs[2]) - c/r->rs[2];
r->d3edrs2z = r->d3edrsz2 = r->d3edz3 = 0.0;
}
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_rpa) = {
XC_LDA_C_RPA,
XC_CORRELATION,
"Random Phase Approximation (RPA)",
XC_FAMILY_LDA,
"M Gell-Mann and KA Brueckner, Phys. Rev. 106, 364 (1957)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/lda_x_2d.c 0000664 0001750 0001750 00000005042 12471363260 012154 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_LDA_X_2D 19 /* Exchange in 2D */
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
const FLOAT ax = -0.600210877438070713036799460671; /* -4/3*SQRT(2)/M_PI */
FLOAT fz, dfz, d2fz, d3fz;
r->zk = ax/r->rs[1];
if(p->nspin == XC_POLARIZED){
fz = 0.5*(POW(1.0 + r->zeta, 3.0/2.0) + POW(1.0 - r->zeta, 3.0/2.0));
r->zk *= fz;
}
if(r->order < 1) return;
r->dedrs = -ax/r->rs[2];
if(p->nspin == XC_POLARIZED){
dfz = 3.0/4.0*(SQRT(1.0 + r->zeta) - SQRT(1.0 - r->zeta));
r->dedrs *= fz;
r->dedz = ax/r->rs[1]*dfz;
}
if(r->order < 2) return;
r->d2edrs2 = 2.0*ax/(r->rs[1]*r->rs[2]);
if(p->nspin == XC_POLARIZED){
d2fz = 3.0/8.0*(1.0/SQRT(1.0 + r->zeta) + 1.0/SQRT(1.0 - r->zeta));
r->d2edrs2 *= fz;
r->d2edrsz = -ax/r->rs[2]* dfz;
r->d2edz2 = ax/r->rs[1]*d2fz;
}
if(r->order < 3) return;
r->d3edrs3 = -6.0*ax/(r->rs[2]*r->rs[2]);
if(p->nspin == XC_POLARIZED){
d3fz = -3.0/16.0*(POW(1.0 + r->zeta, -3.0/2.0) - POW(1.0 - r->zeta, -3.0/2.0));
r->d3edrs3 *= fz;
r->d3edrs2z = 2.0*ax/(r->rs[1]*r->rs[2])*dfz;
r->d3edrsz2 = -ax/r->rs[2]* d2fz;
r->d3edz3 = ax/r->rs[1]* d3fz;
}
}
#define XC_DIMENSIONS 2
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_x_2d) = {
XC_LDA_X_2D,
XC_EXCHANGE,
"Slater exchange",
XC_FAMILY_LDA,
"PAM Dirac, Proceedings of the Cambridge Philosophical Society 26, 376 (1930)\n"
"F Bloch, Zeitschrift fuer Physik 57, 545 (1929)",
XC_FLAGS_2D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 0.0, 0.0, 1e-32,
NULL,
NULL,
work_lda,
NULL,
NULL
};
libxc-2.1.2/src/Makefile.in 0000664 0001750 0001750 00001207414 12471363576 012423 0000000 0000000 # Makefile.in generated by automake 1.13.4 from Makefile.am.
# @configure_input@
# Copyright (C) 1994-2013 Free Software Foundation, Inc.
# This Makefile.in is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
# PARTICULAR PURPOSE.
@SET_MAKE@
VPATH = @srcdir@
am__is_gnu_make = test -n '$(MAKEFILE_LIST)' && test -n '$(MAKELEVEL)'
am__make_running_with_option = \
case $${target_option-} in \
?) ;; \
*) echo "am__make_running_with_option: internal error: invalid" \
"target option '$${target_option-}' specified" >&2; \
exit 1;; \
esac; \
has_opt=no; \
sane_makeflags=$$MAKEFLAGS; \
if $(am__is_gnu_make); then \
sane_makeflags=$$MFLAGS; \
else \
case $$MAKEFLAGS in \
*\\[\ \ ]*) \
bs=\\; \
sane_makeflags=`printf '%s\n' "$$MAKEFLAGS" \
| sed "s/$$bs$$bs[$$bs $$bs ]*//g"`;; \
esac; \
fi; \
skip_next=no; \
strip_trailopt () \
{ \
flg=`printf '%s\n' "$$flg" | sed "s/$$1.*$$//"`; \
}; \
for flg in $$sane_makeflags; do \
test $$skip_next = yes && { skip_next=no; continue; }; \
case $$flg in \
*=*|--*) continue;; \
-*I) strip_trailopt 'I'; skip_next=yes;; \
-*I?*) strip_trailopt 'I';; \
-*O) strip_trailopt 'O'; skip_next=yes;; \
-*O?*) strip_trailopt 'O';; \
-*l) strip_trailopt 'l'; skip_next=yes;; \
-*l?*) strip_trailopt 'l';; \
-[dEDm]) skip_next=yes;; \
-[JT]) skip_next=yes;; \
esac; \
case $$flg in \
*$$target_option*) has_opt=yes; break;; \
esac; \
done; \
test $$has_opt = yes
am__make_dryrun = (target_option=n; $(am__make_running_with_option))
am__make_keepgoing = (target_option=k; $(am__make_running_with_option))
pkgdatadir = $(datadir)/@PACKAGE@
pkgincludedir = $(includedir)/@PACKAGE@
pkglibdir = $(libdir)/@PACKAGE@
pkglibexecdir = $(libexecdir)/@PACKAGE@
am__cd = CDPATH="$${ZSH_VERSION+.}$(PATH_SEPARATOR)" && cd
install_sh_DATA = $(install_sh) -c -m 644
install_sh_PROGRAM = $(install_sh) -c
install_sh_SCRIPT = $(install_sh) -c
INSTALL_HEADER = $(INSTALL_DATA)
transform = $(program_transform_name)
NORMAL_INSTALL = :
PRE_INSTALL = :
POST_INSTALL = :
NORMAL_UNINSTALL = :
PRE_UNINSTALL = :
POST_UNINSTALL = :
build_triplet = @build@
host_triplet = @host@
bin_PROGRAMS = xc-info$(EXEEXT)
@COMPILE_FORTRAN_TRUE@am__append_1 = xc_f.c
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@am__append_2 = xc_f_s.c libxc_s.f90
@COMPILE_SINGLE_TRUE@am__append_3 = xc_s.h
@COMPILE_FORTRAN_TRUE@am__append_4 = $(LIBFUNCMOD) $(XCLIBMODS)
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@am__append_5 = $(XCLIBMODS_S)
subdir = src
DIST_COMMON = $(srcdir)/Makefile.in $(srcdir)/Makefile.am \
$(dist_noinst_SCRIPTS) $(top_srcdir)/depcomp \
$(am__include_HEADERS_DIST) $(noinst_HEADERS)
ACLOCAL_M4 = $(top_srcdir)/aclocal.m4
am__aclocal_m4_deps = $(top_srcdir)/m4/ac_prog_sed.m4 \
$(top_srcdir)/m4/ax_f90_module_extension.m4 \
$(top_srcdir)/m4/fc_integer.m4 $(top_srcdir)/m4/fcflags.m4 \
$(top_srcdir)/m4/fortran.m4 $(top_srcdir)/m4/libtool.m4 \
$(top_srcdir)/m4/ltoptions.m4 $(top_srcdir)/m4/ltsugar.m4 \
$(top_srcdir)/m4/ltversion.m4 $(top_srcdir)/m4/lt~obsolete.m4 \
$(top_srcdir)/configure.ac
am__configure_deps = $(am__aclocal_m4_deps) $(CONFIGURE_DEPENDENCIES) \
$(ACLOCAL_M4)
mkinstalldirs = $(install_sh) -d
CONFIG_HEADER = $(top_builddir)/config.h
CONFIG_CLEAN_FILES =
CONFIG_CLEAN_VPATH_FILES =
am__vpath_adj_setup = srcdirstrip=`echo "$(srcdir)" | sed 's|.|.|g'`;
am__vpath_adj = case $$p in \
$(srcdir)/*) f=`echo "$$p" | sed "s|^$$srcdirstrip/||"`;; \
*) f=$$p;; \
esac;
am__strip_dir = f=`echo $$p | sed -e 's|^.*/||'`;
am__install_max = 40
am__nobase_strip_setup = \
srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*|]/\\\\&/g'`
am__nobase_strip = \
for p in $$list; do echo "$$p"; done | sed -e "s|$$srcdirstrip/||"
am__nobase_list = $(am__nobase_strip_setup); \
for p in $$list; do echo "$$p $$p"; done | \
sed "s| $$srcdirstrip/| |;"' / .*\//!s/ .*/ ./; s,\( .*\)/[^/]*$$,\1,' | \
$(AWK) 'BEGIN { files["."] = "" } { files[$$2] = files[$$2] " " $$1; \
if (++n[$$2] == $(am__install_max)) \
{ print $$2, files[$$2]; n[$$2] = 0; files[$$2] = "" } } \
END { for (dir in files) print dir, files[dir] }'
am__base_list = \
sed '$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;$$!N;s/\n/ /g' | \
sed '$$!N;$$!N;$$!N;$$!N;s/\n/ /g'
am__uninstall_files_from_dir = { \
test -z "$$files" \
|| { test ! -d "$$dir" && test ! -f "$$dir" && test ! -r "$$dir"; } \
|| { echo " ( cd '$$dir' && rm -f" $$files ")"; \
$(am__cd) "$$dir" && rm -f $$files; }; \
}
am__installdirs = "$(DESTDIR)$(libdir)" "$(DESTDIR)$(bindir)" \
"$(DESTDIR)$(includedir)" "$(DESTDIR)$(includedir)"
LTLIBRARIES = $(lib_LTLIBRARIES)
libxc_la_LIBADD =
am__libxc_la_SOURCES_DIST = special_functions.c bessel.c expint_e1.c \
integrate.c util.c mix_func.c functionals.c version.c lda.c \
lda_x.c lda_x_1d.c lda_x_2d.c lda_c_wigner.c lda_c_gombas.c \
lda_c_rpa.c lda_c_hl.c lda_c_vwn.c lda_c_pz.c lda_c_pw.c \
lda_c_ml1.c lda_c_rc04.c lda_xc_teter93.c lda_c_1d_csc.c \
lda_c_1d_loos.c lda_c_2d_amgb.c lda_c_2d_prm.c stoll.c \
lda_k_tf.c gga.c gga_x_lg93.c gga_x_pbe.c gga_x_rpbe.c \
gga_x_pbea.c gga_x_mpbe.c gga_x_herman.c gga_x_b86.c \
gga_x_b86_mgc.c gga_x_b88.c gga_x_g96.c gga_x_pw86.c \
gga_x_pw91.c gga_x_optx.c gga_x_airy.c gga_x_c09x.c \
gga_x_dk87.c gga_x_ft97.c gga_x_wc.c gga_x_am05.c \
gga_x_bayesian.c gga_x_kt.c gga_x_htbs.c gga_c_pbe.c \
gga_c_lyp.c gga_c_p86.c gga_c_pw91.c gga_c_am05.c gga_c_lm.c \
gga_c_wl.c gga_c_wi.c gga_x_lb.c gga_xc_b97.c gga_xc_edf1.c \
gga_xc_1w.c gga_c_optc.c gga_c_tca.c gga_x_bpccac.c \
gga_x_sogga11.c gga_c_sogga11.c gga_xc_th.c gga_x_wpbeh.c \
gga_x_hjs.c gga_x_ityh.c gga_x_sfat.c gga_x_ak13.c gga_x_q2d.c \
gga_c_q2d.c gga_x_ssb_sw.c gga_c_ft97.c gga_c_op.c gga_x_n12.c \
gga_x_lv_rpw86.c gga_x_2d_b86.c gga_x_2d_b86_mgc.c \
gga_x_2d_b88.c gga_x_2d_pbe.c gga_k_tflw.c gga_k_pearson.c \
gga_k_ol1.c gga_k_ol2.c gga_k_dk.c gga_k_meyer.c gga_x_vmt.c \
gga_xc_oblyp_d.c hyb_gga_xc_b3lyp.c hyb_gga_xc_o3lyp.c \
hyb_gga_xc_pbeh.c hyb_gga_xc_b1wc.c hyb_gga_xc_b97.c \
hyb_gga_xc_hse.c hyb_gga_xc_cam_b3lyp.c hyb_gga_xc_camy_blyp.c \
mgga.c mgga_x_lta.c mgga_x_tpss.c mgga_x_br89.c mgga_x_gvt4.c \
mgga_x_m06l.c mgga_x_tau_hcth.c mgga_x_2d_prhg07.c \
mgga_x_pkzb.c mgga_x_m05.c mgga_x_m08.c mgga_x_ms.c \
mgga_x_mn12.c mgga_x_mk00.c mgga_c_vsxc.c mgga_c_pkzb.c \
mgga_c_bc95.c mgga_c_m08.c mgga_c_cc06.c mgga_c_cs.c \
mgga_xc_otpss_d.c hyb_mgga_xc_m05.c hyb_mgga_xc_tpssh.c xc_f.c
am__objects_1 = libxc_la-special_functions.lo libxc_la-bessel.lo \
libxc_la-expint_e1.lo libxc_la-integrate.lo libxc_la-util.lo \
libxc_la-mix_func.lo libxc_la-functionals.lo \
libxc_la-version.lo libxc_la-lda.lo libxc_la-lda_x.lo \
libxc_la-lda_x_1d.lo libxc_la-lda_x_2d.lo \
libxc_la-lda_c_wigner.lo libxc_la-lda_c_gombas.lo \
libxc_la-lda_c_rpa.lo libxc_la-lda_c_hl.lo \
libxc_la-lda_c_vwn.lo libxc_la-lda_c_pz.lo \
libxc_la-lda_c_pw.lo libxc_la-lda_c_ml1.lo \
libxc_la-lda_c_rc04.lo libxc_la-lda_xc_teter93.lo \
libxc_la-lda_c_1d_csc.lo libxc_la-lda_c_1d_loos.lo \
libxc_la-lda_c_2d_amgb.lo libxc_la-lda_c_2d_prm.lo \
libxc_la-stoll.lo libxc_la-lda_k_tf.lo libxc_la-gga.lo \
libxc_la-gga_x_lg93.lo libxc_la-gga_x_pbe.lo \
libxc_la-gga_x_rpbe.lo libxc_la-gga_x_pbea.lo \
libxc_la-gga_x_mpbe.lo libxc_la-gga_x_herman.lo \
libxc_la-gga_x_b86.lo libxc_la-gga_x_b86_mgc.lo \
libxc_la-gga_x_b88.lo libxc_la-gga_x_g96.lo \
libxc_la-gga_x_pw86.lo libxc_la-gga_x_pw91.lo \
libxc_la-gga_x_optx.lo libxc_la-gga_x_airy.lo \
libxc_la-gga_x_c09x.lo libxc_la-gga_x_dk87.lo \
libxc_la-gga_x_ft97.lo libxc_la-gga_x_wc.lo \
libxc_la-gga_x_am05.lo libxc_la-gga_x_bayesian.lo \
libxc_la-gga_x_kt.lo libxc_la-gga_x_htbs.lo \
libxc_la-gga_c_pbe.lo libxc_la-gga_c_lyp.lo \
libxc_la-gga_c_p86.lo libxc_la-gga_c_pw91.lo \
libxc_la-gga_c_am05.lo libxc_la-gga_c_lm.lo \
libxc_la-gga_c_wl.lo libxc_la-gga_c_wi.lo libxc_la-gga_x_lb.lo \
libxc_la-gga_xc_b97.lo libxc_la-gga_xc_edf1.lo \
libxc_la-gga_xc_1w.lo libxc_la-gga_c_optc.lo \
libxc_la-gga_c_tca.lo libxc_la-gga_x_bpccac.lo \
libxc_la-gga_x_sogga11.lo libxc_la-gga_c_sogga11.lo \
libxc_la-gga_xc_th.lo libxc_la-gga_x_wpbeh.lo \
libxc_la-gga_x_hjs.lo libxc_la-gga_x_ityh.lo \
libxc_la-gga_x_sfat.lo libxc_la-gga_x_ak13.lo \
libxc_la-gga_x_q2d.lo libxc_la-gga_c_q2d.lo \
libxc_la-gga_x_ssb_sw.lo libxc_la-gga_c_ft97.lo \
libxc_la-gga_c_op.lo libxc_la-gga_x_n12.lo \
libxc_la-gga_x_lv_rpw86.lo libxc_la-gga_x_2d_b86.lo \
libxc_la-gga_x_2d_b86_mgc.lo libxc_la-gga_x_2d_b88.lo \
libxc_la-gga_x_2d_pbe.lo libxc_la-gga_k_tflw.lo \
libxc_la-gga_k_pearson.lo libxc_la-gga_k_ol1.lo \
libxc_la-gga_k_ol2.lo libxc_la-gga_k_dk.lo \
libxc_la-gga_k_meyer.lo libxc_la-gga_x_vmt.lo \
libxc_la-gga_xc_oblyp_d.lo libxc_la-hyb_gga_xc_b3lyp.lo \
libxc_la-hyb_gga_xc_o3lyp.lo libxc_la-hyb_gga_xc_pbeh.lo \
libxc_la-hyb_gga_xc_b1wc.lo libxc_la-hyb_gga_xc_b97.lo \
libxc_la-hyb_gga_xc_hse.lo libxc_la-hyb_gga_xc_cam_b3lyp.lo \
libxc_la-hyb_gga_xc_camy_blyp.lo libxc_la-mgga.lo \
libxc_la-mgga_x_lta.lo libxc_la-mgga_x_tpss.lo \
libxc_la-mgga_x_br89.lo libxc_la-mgga_x_gvt4.lo \
libxc_la-mgga_x_m06l.lo libxc_la-mgga_x_tau_hcth.lo \
libxc_la-mgga_x_2d_prhg07.lo libxc_la-mgga_x_pkzb.lo \
libxc_la-mgga_x_m05.lo libxc_la-mgga_x_m08.lo \
libxc_la-mgga_x_ms.lo libxc_la-mgga_x_mn12.lo \
libxc_la-mgga_x_mk00.lo libxc_la-mgga_c_vsxc.lo \
libxc_la-mgga_c_pkzb.lo libxc_la-mgga_c_bc95.lo \
libxc_la-mgga_c_m08.lo libxc_la-mgga_c_cc06.lo \
libxc_la-mgga_c_cs.lo libxc_la-mgga_xc_otpss_d.lo \
libxc_la-hyb_mgga_xc_m05.lo libxc_la-hyb_mgga_xc_tpssh.lo
@COMPILE_FORTRAN_TRUE@am__objects_2 = libxc_la-xc_f.lo
am_libxc_la_OBJECTS = $(am__objects_1) $(am__objects_2)
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@am__objects_3 = \
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@ libxc_la-xc_f_s.lo \
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@ libxc_la-libxc_s.lo
am__objects_4 = libxc_la-special_functions_s.lo libxc_la-bessel_s.lo \
libxc_la-expint_e1_s.lo libxc_la-integrate_s.lo \
libxc_la-util_s.lo libxc_la-mix_func_s.lo \
libxc_la-functionals_s.lo libxc_la-version_s.lo \
libxc_la-lda_s.lo libxc_la-lda_x_s.lo libxc_la-lda_x_1d_s.lo \
libxc_la-lda_x_2d_s.lo libxc_la-lda_c_wigner_s.lo \
libxc_la-lda_c_gombas_s.lo libxc_la-lda_c_rpa_s.lo \
libxc_la-lda_c_hl_s.lo libxc_la-lda_c_vwn_s.lo \
libxc_la-lda_c_pz_s.lo libxc_la-lda_c_pw_s.lo \
libxc_la-lda_c_ml1_s.lo libxc_la-lda_c_rc04_s.lo \
libxc_la-lda_xc_teter93_s.lo libxc_la-lda_c_1d_csc_s.lo \
libxc_la-lda_c_1d_loos_s.lo libxc_la-lda_c_2d_amgb_s.lo \
libxc_la-lda_c_2d_prm_s.lo libxc_la-stoll_s.lo \
libxc_la-lda_k_tf_s.lo libxc_la-gga_s.lo \
libxc_la-gga_x_lg93_s.lo libxc_la-gga_x_pbe_s.lo \
libxc_la-gga_x_rpbe_s.lo libxc_la-gga_x_pbea_s.lo \
libxc_la-gga_x_mpbe_s.lo libxc_la-gga_x_herman_s.lo \
libxc_la-gga_x_b86_s.lo libxc_la-gga_x_b86_mgc_s.lo \
libxc_la-gga_x_b88_s.lo libxc_la-gga_x_g96_s.lo \
libxc_la-gga_x_pw86_s.lo libxc_la-gga_x_pw91_s.lo \
libxc_la-gga_x_optx_s.lo libxc_la-gga_x_airy_s.lo \
libxc_la-gga_x_c09x_s.lo libxc_la-gga_x_dk87_s.lo \
libxc_la-gga_x_ft97_s.lo libxc_la-gga_x_wc_s.lo \
libxc_la-gga_x_am05_s.lo libxc_la-gga_x_bayesian_s.lo \
libxc_la-gga_x_kt_s.lo libxc_la-gga_x_htbs_s.lo \
libxc_la-gga_c_pbe_s.lo libxc_la-gga_c_lyp_s.lo \
libxc_la-gga_c_p86_s.lo libxc_la-gga_c_pw91_s.lo \
libxc_la-gga_c_am05_s.lo libxc_la-gga_c_lm_s.lo \
libxc_la-gga_c_wl_s.lo libxc_la-gga_c_wi_s.lo \
libxc_la-gga_x_lb_s.lo libxc_la-gga_xc_b97_s.lo \
libxc_la-gga_xc_edf1_s.lo libxc_la-gga_xc_1w_s.lo \
libxc_la-gga_c_optc_s.lo libxc_la-gga_c_tca_s.lo \
libxc_la-gga_x_bpccac_s.lo libxc_la-gga_x_sogga11_s.lo \
libxc_la-gga_c_sogga11_s.lo libxc_la-gga_xc_th_s.lo \
libxc_la-gga_x_wpbeh_s.lo libxc_la-gga_x_hjs_s.lo \
libxc_la-gga_x_ityh_s.lo libxc_la-gga_x_sfat_s.lo \
libxc_la-gga_x_ak13_s.lo libxc_la-gga_x_q2d_s.lo \
libxc_la-gga_c_q2d_s.lo libxc_la-gga_x_ssb_sw_s.lo \
libxc_la-gga_c_ft97_s.lo libxc_la-gga_c_op_s.lo \
libxc_la-gga_x_n12_s.lo libxc_la-gga_x_lv_rpw86_s.lo \
libxc_la-gga_x_2d_b86_s.lo libxc_la-gga_x_2d_b86_mgc_s.lo \
libxc_la-gga_x_2d_b88_s.lo libxc_la-gga_x_2d_pbe_s.lo \
libxc_la-gga_k_tflw_s.lo libxc_la-gga_k_pearson_s.lo \
libxc_la-gga_k_ol1_s.lo libxc_la-gga_k_ol2_s.lo \
libxc_la-gga_k_dk_s.lo libxc_la-gga_k_meyer_s.lo \
libxc_la-gga_x_vmt_s.lo libxc_la-gga_xc_oblyp_d_s.lo \
libxc_la-hyb_gga_xc_b3lyp_s.lo libxc_la-hyb_gga_xc_o3lyp_s.lo \
libxc_la-hyb_gga_xc_pbeh_s.lo libxc_la-hyb_gga_xc_b1wc_s.lo \
libxc_la-hyb_gga_xc_b97_s.lo libxc_la-hyb_gga_xc_hse_s.lo \
libxc_la-hyb_gga_xc_cam_b3lyp_s.lo \
libxc_la-hyb_gga_xc_camy_blyp_s.lo libxc_la-mgga_s.lo \
libxc_la-mgga_x_lta_s.lo libxc_la-mgga_x_tpss_s.lo \
libxc_la-mgga_x_br89_s.lo libxc_la-mgga_x_gvt4_s.lo \
libxc_la-mgga_x_m06l_s.lo libxc_la-mgga_x_tau_hcth_s.lo \
libxc_la-mgga_x_2d_prhg07_s.lo libxc_la-mgga_x_pkzb_s.lo \
libxc_la-mgga_x_m05_s.lo libxc_la-mgga_x_m08_s.lo \
libxc_la-mgga_x_ms_s.lo libxc_la-mgga_x_mn12_s.lo \
libxc_la-mgga_x_mk00_s.lo libxc_la-mgga_c_vsxc_s.lo \
libxc_la-mgga_c_pkzb_s.lo libxc_la-mgga_c_bc95_s.lo \
libxc_la-mgga_c_m08_s.lo libxc_la-mgga_c_cc06_s.lo \
libxc_la-mgga_c_cs_s.lo libxc_la-mgga_xc_otpss_d_s.lo \
libxc_la-hyb_mgga_xc_m05_s.lo libxc_la-hyb_mgga_xc_tpssh_s.lo
am__objects_5 = $(am__objects_4)
@COMPILE_FORTRAN_FALSE@@COMPILE_SINGLE_TRUE@nodist_libxc_la_OBJECTS = \
@COMPILE_FORTRAN_FALSE@@COMPILE_SINGLE_TRUE@ $(am__objects_5) \
@COMPILE_FORTRAN_FALSE@@COMPILE_SINGLE_TRUE@ $(am__objects_3)
@COMPILE_FORTRAN_TRUE@nodist_libxc_la_OBJECTS = \
@COMPILE_FORTRAN_TRUE@ libxc_la-libxc_funcs.lo \
@COMPILE_FORTRAN_TRUE@ libxc_la-libxc.lo $(am__objects_3)
libxc_la_OBJECTS = $(am_libxc_la_OBJECTS) $(nodist_libxc_la_OBJECTS)
AM_V_lt = $(am__v_lt_@AM_V@)
am__v_lt_ = $(am__v_lt_@AM_DEFAULT_V@)
am__v_lt_0 = --silent
am__v_lt_1 =
libxc_la_LINK = $(LIBTOOL) $(AM_V_lt) --tag=FC \
$(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=link $(FCLD) \
$(AM_FCFLAGS) $(FCFLAGS) $(libxc_la_LDFLAGS) $(LDFLAGS) -o $@
PROGRAMS = $(bin_PROGRAMS)
am_xc_info_OBJECTS = xc-info.$(OBJEXT)
xc_info_OBJECTS = $(am_xc_info_OBJECTS)
xc_info_DEPENDENCIES = libxc.la
xc_info_LINK = $(LIBTOOL) $(AM_V_lt) --tag=CC $(AM_LIBTOOLFLAGS) \
$(LIBTOOLFLAGS) --mode=link $(CCLD) $(AM_CFLAGS) $(CFLAGS) \
$(xc_info_LDFLAGS) $(LDFLAGS) -o $@
SCRIPTS = $(dist_noinst_SCRIPTS)
AM_V_P = $(am__v_P_@AM_V@)
am__v_P_ = $(am__v_P_@AM_DEFAULT_V@)
am__v_P_0 = false
am__v_P_1 = :
AM_V_GEN = $(am__v_GEN_@AM_V@)
am__v_GEN_ = $(am__v_GEN_@AM_DEFAULT_V@)
am__v_GEN_0 = @echo " GEN " $@;
am__v_GEN_1 =
AM_V_at = $(am__v_at_@AM_V@)
am__v_at_ = $(am__v_at_@AM_DEFAULT_V@)
am__v_at_0 = @
am__v_at_1 =
DEFAULT_INCLUDES = -I.@am__isrc@ -I$(top_builddir)
depcomp = $(SHELL) $(top_srcdir)/depcomp
am__depfiles_maybe = depfiles
am__mv = mv -f
COMPILE = $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) \
$(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS)
LTCOMPILE = $(LIBTOOL) $(AM_V_lt) --tag=CC $(AM_LIBTOOLFLAGS) \
$(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) \
$(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) \
$(AM_CFLAGS) $(CFLAGS)
AM_V_CC = $(am__v_CC_@AM_V@)
am__v_CC_ = $(am__v_CC_@AM_DEFAULT_V@)
am__v_CC_0 = @echo " CC " $@;
am__v_CC_1 =
CCLD = $(CC)
LINK = $(LIBTOOL) $(AM_V_lt) --tag=CC $(AM_LIBTOOLFLAGS) \
$(LIBTOOLFLAGS) --mode=link $(CCLD) $(AM_CFLAGS) $(CFLAGS) \
$(AM_LDFLAGS) $(LDFLAGS) -o $@
AM_V_CCLD = $(am__v_CCLD_@AM_V@)
am__v_CCLD_ = $(am__v_CCLD_@AM_DEFAULT_V@)
am__v_CCLD_0 = @echo " CCLD " $@;
am__v_CCLD_1 =
FCCOMPILE = $(FC) $(AM_FCFLAGS) $(FCFLAGS)
AM_V_FC = $(am__v_FC_@AM_V@)
am__v_FC_ = $(am__v_FC_@AM_DEFAULT_V@)
am__v_FC_0 = @echo " FC " $@;
am__v_FC_1 =
FCLD = $(FC)
AM_V_FCLD = $(am__v_FCLD_@AM_V@)
am__v_FCLD_ = $(am__v_FCLD_@AM_DEFAULT_V@)
am__v_FCLD_0 = @echo " FCLD " $@;
am__v_FCLD_1 =
SOURCES = $(libxc_la_SOURCES) $(nodist_libxc_la_SOURCES) \
$(xc_info_SOURCES)
DIST_SOURCES = $(am__libxc_la_SOURCES_DIST) $(xc_info_SOURCES)
am__can_run_installinfo = \
case $$AM_UPDATE_INFO_DIR in \
n|no|NO) false;; \
*) (install-info --version) >/dev/null 2>&1;; \
esac
am__include_HEADERS_DIST = xc.h xc_config.h xc_unconfig.h xc_s.h
HEADERS = $(include_HEADERS) $(nodist_include_HEADERS) \
$(noinst_HEADERS)
am__tagged_files = $(HEADERS) $(SOURCES) $(TAGS_FILES) $(LISP)
# Read a list of newline-separated strings from the standard input,
# and print each of them once, without duplicates. Input order is
# *not* preserved.
am__uniquify_input = $(AWK) '\
BEGIN { nonempty = 0; } \
{ items[$$0] = 1; nonempty = 1; } \
END { if (nonempty) { for (i in items) print i; }; } \
'
# Make sure the list of sources is unique. This is necessary because,
# e.g., the same source file might be shared among _SOURCES variables
# for different programs/libraries.
am__define_uniq_tagged_files = \
list='$(am__tagged_files)'; \
unique=`for i in $$list; do \
if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \
done | $(am__uniquify_input)`
ETAGS = etags
CTAGS = ctags
DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST)
ACLOCAL = @ACLOCAL@
ALLOCA = @ALLOCA@
AMTAR = @AMTAR@
AM_DEFAULT_VERBOSITY = @AM_DEFAULT_VERBOSITY@
AR = @AR@
AUTOCONF = @AUTOCONF@
AUTOHEADER = @AUTOHEADER@
AUTOMAKE = @AUTOMAKE@
AWK = @AWK@
CC = @CC@
CCDEPMODE = @CCDEPMODE@
CFLAGS = @CFLAGS@
CPP = @CPP@
CPPFLAGS = @CPPFLAGS@
CYGPATH_W = @CYGPATH_W@
DEFS = @DEFS@
DEPDIR = @DEPDIR@
DLLTOOL = @DLLTOOL@
DSYMUTIL = @DSYMUTIL@
DUMPBIN = @DUMPBIN@
ECHO_C = @ECHO_C@
ECHO_N = @ECHO_N@
ECHO_T = @ECHO_T@
EGREP = @EGREP@
EXEEXT = @EXEEXT@
F90_ACCEPTS_LINE_NUMBERS = @F90_ACCEPTS_LINE_NUMBERS@
FC = @FC@
FCCPP = @FCCPP@
FCFLAGS = @FCFLAGS@
FCFLAGS_f90 = @FCFLAGS_f90@
FCLIBS = @FCLIBS@
FGREP = @FGREP@
GREP = @GREP@
INSTALL = @INSTALL@
INSTALL_DATA = @INSTALL_DATA@
INSTALL_PROGRAM = @INSTALL_PROGRAM@
INSTALL_SCRIPT = @INSTALL_SCRIPT@
INSTALL_STRIP_PROGRAM = @INSTALL_STRIP_PROGRAM@
LD = @LD@
LDFLAGS = @LDFLAGS@
LIBOBJS = @LIBOBJS@
LIBS = @LIBS@
LIBTOOL = @LIBTOOL@
LIPO = @LIPO@
LN_S = @LN_S@
LONG_LINES = @LONG_LINES@
LTLIBOBJS = @LTLIBOBJS@
MAKEINFO = @MAKEINFO@
MANIFEST_TOOL = @MANIFEST_TOOL@
MKDIR_P = @MKDIR_P@
NM = @NM@
NMEDIT = @NMEDIT@
OBJDUMP = @OBJDUMP@
OBJEXT = @OBJEXT@
OTOOL = @OTOOL@
OTOOL64 = @OTOOL64@
PACKAGE = @PACKAGE@
PACKAGE_BUGREPORT = @PACKAGE_BUGREPORT@
PACKAGE_NAME = @PACKAGE_NAME@
PACKAGE_STRING = @PACKAGE_STRING@
PACKAGE_TARNAME = @PACKAGE_TARNAME@
PACKAGE_URL = @PACKAGE_URL@
PACKAGE_VERSION = @PACKAGE_VERSION@
PATH_SEPARATOR = @PATH_SEPARATOR@
RANLIB = @RANLIB@
SED = @SED@
SET_MAKE = @SET_MAKE@
SHELL = @SHELL@
STRIP = @STRIP@
VERSION = @VERSION@
XC_LT_VERSION = @XC_LT_VERSION@
XC_MAJOR_VERSION = @XC_MAJOR_VERSION@
XC_MINOR_VERSION = @XC_MINOR_VERSION@
abs_builddir = @abs_builddir@
abs_srcdir = @abs_srcdir@
abs_top_builddir = @abs_top_builddir@
abs_top_srcdir = @abs_top_srcdir@
ac_ct_AR = @ac_ct_AR@
ac_ct_CC = @ac_ct_CC@
ac_ct_DUMPBIN = @ac_ct_DUMPBIN@
ac_ct_FC = @ac_ct_FC@
am__include = @am__include@
am__leading_dot = @am__leading_dot@
am__quote = @am__quote@
am__tar = @am__tar@
am__untar = @am__untar@
ax_cv_f90_modext = @ax_cv_f90_modext@
bindir = @bindir@
build = @build@
build_alias = @build_alias@
build_cpu = @build_cpu@
build_os = @build_os@
build_vendor = @build_vendor@
builddir = @builddir@
datadir = @datadir@
datarootdir = @datarootdir@
docdir = @docdir@
dvidir = @dvidir@
exec_prefix = @exec_prefix@
host = @host@
host_alias = @host_alias@
host_cpu = @host_cpu@
host_os = @host_os@
host_vendor = @host_vendor@
htmldir = @htmldir@
includedir = @includedir@
infodir = @infodir@
install_sh = @install_sh@
libdir = @libdir@
libexecdir = @libexecdir@
localedir = @localedir@
localstatedir = @localstatedir@
mandir = @mandir@
mkdir_p = @mkdir_p@
oldincludedir = @oldincludedir@
pdfdir = @pdfdir@
prefix = @prefix@
program_transform_name = @program_transform_name@
psdir = @psdir@
sbindir = @sbindir@
sharedstatedir = @sharedstatedir@
srcdir = @srcdir@
sysconfdir = @sysconfdir@
target_alias = @target_alias@
top_build_prefix = @top_build_prefix@
top_builddir = @top_builddir@
top_srcdir = @top_srcdir@
xc_info_SOURCES = xc-info.c
xc_info_LDADD = libxc.la -lm
xc_info_LDFLAGS =
lib_LTLIBRARIES = libxc.la
libxc_la_FUNC_SOURCES = \
special_functions.c bessel.c expint_e1.c integrate.c util.c mix_func.c functionals.c \
version.c \
lda.c lda_x.c lda_x_1d.c lda_x_2d.c \
lda_c_wigner.c lda_c_gombas.c lda_c_rpa.c lda_c_hl.c \
lda_c_vwn.c lda_c_pz.c lda_c_pw.c lda_c_ml1.c lda_c_rc04.c lda_xc_teter93.c \
lda_c_1d_csc.c lda_c_1d_loos.c \
lda_c_2d_amgb.c lda_c_2d_prm.c stoll.c \
lda_k_tf.c \
gga.c \
gga_x_lg93.c gga_x_pbe.c gga_x_rpbe.c gga_x_pbea.c gga_x_mpbe.c gga_x_herman.c gga_x_b86.c gga_x_b86_mgc.c \
gga_x_b88.c gga_x_g96.c gga_x_pw86.c gga_x_pw91.c gga_x_optx.c gga_x_airy.c gga_x_c09x.c \
gga_x_dk87.c gga_x_ft97.c gga_x_wc.c gga_x_am05.c gga_x_bayesian.c gga_x_kt.c gga_x_htbs.c \
gga_c_pbe.c gga_c_lyp.c gga_c_p86.c gga_c_pw91.c gga_c_am05.c gga_c_lm.c gga_c_wl.c gga_c_wi.c \
gga_x_lb.c gga_xc_b97.c gga_xc_edf1.c gga_xc_1w.c gga_c_optc.c gga_c_tca.c gga_x_bpccac.c \
gga_x_sogga11.c gga_c_sogga11.c gga_xc_th.c gga_x_wpbeh.c gga_x_hjs.c gga_x_ityh.c gga_x_sfat.c \
gga_x_ak13.c gga_x_q2d.c gga_c_q2d.c \
gga_x_ssb_sw.c gga_c_ft97.c gga_c_op.c gga_x_n12.c gga_x_lv_rpw86.c \
gga_x_2d_b86.c gga_x_2d_b86_mgc.c gga_x_2d_b88.c gga_x_2d_pbe.c \
gga_k_tflw.c gga_k_pearson.c gga_k_ol1.c gga_k_ol2.c gga_k_dk.c gga_k_meyer.c \
gga_x_vmt.c gga_xc_oblyp_d.c \
hyb_gga_xc_b3lyp.c hyb_gga_xc_o3lyp.c hyb_gga_xc_pbeh.c hyb_gga_xc_b1wc.c \
hyb_gga_xc_b97.c hyb_gga_xc_hse.c hyb_gga_xc_cam_b3lyp.c hyb_gga_xc_camy_blyp.c \
mgga.c \
mgga_x_lta.c mgga_x_tpss.c mgga_x_br89.c mgga_x_gvt4.c mgga_x_m06l.c mgga_x_tau_hcth.c \
mgga_x_2d_prhg07.c mgga_x_pkzb.c mgga_x_m05.c mgga_x_m08.c mgga_x_ms.c mgga_x_mn12.c mgga_x_mk00.c \
mgga_c_vsxc.c mgga_c_pkzb.c mgga_c_bc95.c mgga_c_m08.c mgga_c_cc06.c mgga_c_cs.c mgga_xc_otpss_d.c \
hyb_mgga_xc_m05.c hyb_mgga_xc_tpssh.c
libxc_la_FUNC_SINGLE_SOURCES = $(libxc_la_FUNC_SOURCES:.c=_s.c)
libxc_la_SOURCES = $(libxc_la_FUNC_SOURCES) $(am__append_1)
@COMPILE_FORTRAN_TRUE@nodist_libxc_la_SOURCES = libxc_funcs.f90 \
@COMPILE_FORTRAN_TRUE@ libxc.f90 $(am__append_2)
@COMPILE_SINGLE_TRUE@nodist_libxc_la_SOURCES = \
@COMPILE_SINGLE_TRUE@ $(libxc_la_FUNC_SINGLE_SOURCES) \
@COMPILE_SINGLE_TRUE@ $(am__append_2)
libxc_la_LDFLAGS = -version-info $(XC_LT_VERSION)
# this is a hack to go around buggy libtool/automake versions
libxc_la_LIBTOOLFLAGS = --tag=F77
LTFCCOMPILE = $(LIBTOOL) --mode=compile --tag=F77 $(FC) $(AM_FCFLAGS) $(FCFLAGS)
FCLINK = $(LIBTOOL) --mode=link --tag=F77 $(FCLD) $(AM_FCFLAGS) $(FCFLAGS) \
$(AM_LDFLAGS) $(LDFLAGS) -o $@
dist_noinst_SCRIPTS = get_funcs.pl
noinst_HEADERS = \
string_f.h util.h work_lda.c \
work_gga_x.c work_gga_c.c \
work_mgga_x.c work_mgga_c.c \
libxc_master.F90
include_HEADERS = xc.h xc_config.h xc_unconfig.h $(am__append_3)
nodist_include_HEADERS = xc_funcs.h $(am__append_4) $(am__append_5)
BUILT_SOURCES = xc_funcs.h
@COMPILE_FORTRAN_TRUE@@F90_MOD_UPPERCASE_FALSE@LIBFUNCMOD = libxc_funcs_m.@ax_cv_f90_modext@
@COMPILE_FORTRAN_TRUE@@F90_MOD_UPPERCASE_TRUE@LIBFUNCMOD = LIBXC_FUNCS_M.@ax_cv_f90_modext@
@COMPILE_FORTRAN_TRUE@@F90_MOD_UPPERCASE_FALSE@XCLIBMODS = xc_f90_lib_m.@ax_cv_f90_modext@ xc_f90_types_m.@ax_cv_f90_modext@
# Double precision modules are always compiled
@COMPILE_FORTRAN_TRUE@@F90_MOD_UPPERCASE_TRUE@XCLIBMODS = XC_F90_LIB_M.@ax_cv_f90_modext@ XC_F90_TYPES_M.@ax_cv_f90_modext@
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@@F90_MOD_UPPERCASE_FALSE@LIBSFUNCMOD = libxc_s_funcs_m.@ax_cv_f90_modext@
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@@F90_MOD_UPPERCASE_TRUE@LIBSFUNCMOD = LIBXC_S_FUNCS_M.@ax_cv_f90_modext@
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@@F90_MOD_UPPERCASE_FALSE@XCLIBMODS_S = xc_s_f90_lib_m.@ax_cv_f90_modext@ xc_s_f90_types_m.@ax_cv_f90_modext@
@COMPILE_FORTRAN_TRUE@@COMPILE_SINGLE_TRUE@@F90_MOD_UPPERCASE_TRUE@XCLIBMODS_S = XC_S_F90_LIB_M.@ax_cv_f90_modext@ XC_S_F90_TYPES_M.@ax_cv_f90_modext@
SUFFIXES = _s.c
CLEANFILES = *~ *.bak *.mod *.il *.d *.pc* ifc* funcs_*.c funcs.h \
libxc.f90 libxc_funcs.f90 xc_funcs.h *_s.c *_s.f90
LTPREF = $(subst special_functions.lo,,$(firstword $(am_libxc_la_OBJECTS)))
all: $(BUILT_SOURCES)
$(MAKE) $(AM_MAKEFLAGS) all-am
.SUFFIXES:
.SUFFIXES: _s.c .c .f90 .lo .o .obj
$(srcdir)/Makefile.in: $(srcdir)/Makefile.am $(am__configure_deps)
@for dep in $?; do \
case '$(am__configure_deps)' in \
*$$dep*) \
( cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh ) \
&& { if test -f $@; then exit 0; else break; fi; }; \
exit 1;; \
esac; \
done; \
echo ' cd $(top_srcdir) && $(AUTOMAKE) --gnu src/Makefile'; \
$(am__cd) $(top_srcdir) && \
$(AUTOMAKE) --gnu src/Makefile
.PRECIOUS: Makefile
Makefile: $(srcdir)/Makefile.in $(top_builddir)/config.status
@case '$?' in \
*config.status*) \
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh;; \
*) \
echo ' cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__depfiles_maybe)'; \
cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__depfiles_maybe);; \
esac;
$(top_builddir)/config.status: $(top_srcdir)/configure $(CONFIG_STATUS_DEPENDENCIES)
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh
$(top_srcdir)/configure: $(am__configure_deps)
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh
$(ACLOCAL_M4): $(am__aclocal_m4_deps)
cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh
$(am__aclocal_m4_deps):
install-libLTLIBRARIES: $(lib_LTLIBRARIES)
@$(NORMAL_INSTALL)
@list='$(lib_LTLIBRARIES)'; test -n "$(libdir)" || list=; \
list2=; for p in $$list; do \
if test -f $$p; then \
list2="$$list2 $$p"; \
else :; fi; \
done; \
test -z "$$list2" || { \
echo " $(MKDIR_P) '$(DESTDIR)$(libdir)'"; \
$(MKDIR_P) "$(DESTDIR)$(libdir)" || exit 1; \
echo " $(LIBTOOL) $(AM_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=install $(INSTALL) $(INSTALL_STRIP_FLAG) $$list2 '$(DESTDIR)$(libdir)'"; \
$(LIBTOOL) $(AM_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=install $(INSTALL) $(INSTALL_STRIP_FLAG) $$list2 "$(DESTDIR)$(libdir)"; \
}
uninstall-libLTLIBRARIES:
@$(NORMAL_UNINSTALL)
@list='$(lib_LTLIBRARIES)'; test -n "$(libdir)" || list=; \
for p in $$list; do \
$(am__strip_dir) \
echo " $(LIBTOOL) $(AM_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=uninstall rm -f '$(DESTDIR)$(libdir)/$$f'"; \
$(LIBTOOL) $(AM_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=uninstall rm -f "$(DESTDIR)$(libdir)/$$f"; \
done
clean-libLTLIBRARIES:
-test -z "$(lib_LTLIBRARIES)" || rm -f $(lib_LTLIBRARIES)
@list='$(lib_LTLIBRARIES)'; \
locs=`for p in $$list; do echo $$p; done | \
sed 's|^[^/]*$$|.|; s|/[^/]*$$||; s|$$|/so_locations|' | \
sort -u`; \
test -z "$$locs" || { \
echo rm -f $${locs}; \
rm -f $${locs}; \
}
libxc.la: $(libxc_la_OBJECTS) $(libxc_la_DEPENDENCIES) $(EXTRA_libxc_la_DEPENDENCIES)
$(AM_V_FCLD)$(libxc_la_LINK) -rpath $(libdir) $(libxc_la_OBJECTS) $(libxc_la_LIBADD) $(LIBS)
install-binPROGRAMS: $(bin_PROGRAMS)
@$(NORMAL_INSTALL)
@list='$(bin_PROGRAMS)'; test -n "$(bindir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(bindir)'"; \
$(MKDIR_P) "$(DESTDIR)$(bindir)" || exit 1; \
fi; \
for p in $$list; do echo "$$p $$p"; done | \
sed 's/$(EXEEXT)$$//' | \
while read p p1; do if test -f $$p \
|| test -f $$p1 \
; then echo "$$p"; echo "$$p"; else :; fi; \
done | \
sed -e 'p;s,.*/,,;n;h' \
-e 's|.*|.|' \
-e 'p;x;s,.*/,,;s/$(EXEEXT)$$//;$(transform);s/$$/$(EXEEXT)/' | \
sed 'N;N;N;s,\n, ,g' | \
$(AWK) 'BEGIN { files["."] = ""; dirs["."] = 1 } \
{ d=$$3; if (dirs[d] != 1) { print "d", d; dirs[d] = 1 } \
if ($$2 == $$4) files[d] = files[d] " " $$1; \
else { print "f", $$3 "/" $$4, $$1; } } \
END { for (d in files) print "f", d, files[d] }' | \
while read type dir files; do \
if test "$$dir" = .; then dir=; else dir=/$$dir; fi; \
test -z "$$files" || { \
echo " $(INSTALL_PROGRAM_ENV) $(LIBTOOL) $(AM_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=install $(INSTALL_PROGRAM) $$files '$(DESTDIR)$(bindir)$$dir'"; \
$(INSTALL_PROGRAM_ENV) $(LIBTOOL) $(AM_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=install $(INSTALL_PROGRAM) $$files "$(DESTDIR)$(bindir)$$dir" || exit $$?; \
} \
; done
uninstall-binPROGRAMS:
@$(NORMAL_UNINSTALL)
@list='$(bin_PROGRAMS)'; test -n "$(bindir)" || list=; \
files=`for p in $$list; do echo "$$p"; done | \
sed -e 'h;s,^.*/,,;s/$(EXEEXT)$$//;$(transform)' \
-e 's/$$/$(EXEEXT)/' \
`; \
test -n "$$list" || exit 0; \
echo " ( cd '$(DESTDIR)$(bindir)' && rm -f" $$files ")"; \
cd "$(DESTDIR)$(bindir)" && rm -f $$files
clean-binPROGRAMS:
@list='$(bin_PROGRAMS)'; test -n "$$list" || exit 0; \
echo " rm -f" $$list; \
rm -f $$list || exit $$?; \
test -n "$(EXEEXT)" || exit 0; \
list=`for p in $$list; do echo "$$p"; done | sed 's/$(EXEEXT)$$//'`; \
echo " rm -f" $$list; \
rm -f $$list
xc-info$(EXEEXT): $(xc_info_OBJECTS) $(xc_info_DEPENDENCIES) $(EXTRA_xc_info_DEPENDENCIES)
@rm -f xc-info$(EXEEXT)
$(AM_V_CCLD)$(xc_info_LINK) $(xc_info_OBJECTS) $(xc_info_LDADD) $(LIBS)
mostlyclean-compile:
-rm -f *.$(OBJEXT)
distclean-compile:
-rm -f *.tab.c
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-bessel.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-bessel_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-expint_e1.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-expint_e1_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-functionals.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-functionals_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_am05.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_am05_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_ft97.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_ft97_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_lm.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_lm_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_lyp.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_lyp_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_op.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_op_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_optc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_optc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_p86.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_p86_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_pbe.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_pbe_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_pw91.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_pw91_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_q2d.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_q2d_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_sogga11.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_sogga11_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_tca.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_tca_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_wi.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_wi_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_wl.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_c_wl_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_dk.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_dk_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_meyer.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_meyer_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_ol1.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_ol1_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_ol2.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_ol2_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_pearson.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_pearson_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_tflw.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_k_tflw_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_b86.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_b86_mgc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_b86_mgc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_b86_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_b88.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_b88_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_pbe.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_2d_pbe_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_airy.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_airy_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ak13.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ak13_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_am05.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_am05_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_b86.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_b86_mgc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_b86_mgc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_b86_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_b88.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_b88_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_bayesian.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_bayesian_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_bpccac.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_bpccac_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_c09x.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_c09x_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_dk87.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_dk87_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ft97.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ft97_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_g96.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_g96_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_herman.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_herman_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_hjs.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_hjs_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_htbs.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_htbs_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ityh.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ityh_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_kt.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_kt_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_lb.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_lb_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_lg93.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_lg93_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_lv_rpw86.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_lv_rpw86_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_mpbe.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_mpbe_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_n12.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_n12_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_optx.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_optx_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pbe.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pbe_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pbea.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pbea_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pw86.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pw86_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pw91.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_pw91_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_q2d.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_q2d_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_rpbe.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_rpbe_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_sfat.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_sfat_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_sogga11.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_sogga11_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ssb_sw.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_ssb_sw_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_vmt.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_vmt_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_wc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_wc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_wpbeh.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_x_wpbeh_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_1w.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_1w_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_b97.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_b97_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_edf1.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_edf1_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_oblyp_d.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_oblyp_d_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_th.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-gga_xc_th_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_b1wc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_b1wc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_b97.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_b97_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_hse.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_hse_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_pbeh.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_gga_xc_pbeh_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_mgga_xc_m05.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_mgga_xc_m05_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-integrate.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-integrate_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_1d_csc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_1d_csc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_1d_loos.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_1d_loos_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_2d_amgb.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_2d_amgb_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_2d_prm.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_2d_prm_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_gombas.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_gombas_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_hl.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_hl_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_ml1.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_ml1_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_pw.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_pw_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_pz.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_pz_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_rc04.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_rc04_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_rpa.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_rpa_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_vwn.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_vwn_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_wigner.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_c_wigner_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_k_tf.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_k_tf_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_x.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_x_1d.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_x_1d_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_x_2d.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_x_2d_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_x_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_xc_teter93.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-lda_xc_teter93_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_bc95.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_bc95_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_cc06.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_cc06_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_cs.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_cs_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_m08.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_m08_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_pkzb.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_pkzb_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_vsxc.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_c_vsxc_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_2d_prhg07.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_2d_prhg07_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_br89.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_br89_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_gvt4.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_gvt4_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_lta.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_lta_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_m05.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_m05_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_m06l.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_m06l_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_m08.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_m08_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_mk00.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_mk00_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_mn12.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_mn12_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_ms.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_ms_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_pkzb.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_pkzb_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_tau_hcth.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_tau_hcth_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_tpss.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_x_tpss_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_xc_otpss_d.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mgga_xc_otpss_d_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mix_func.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-mix_func_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-special_functions.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-special_functions_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-stoll.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-stoll_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-util.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-util_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-version.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-version_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-xc_f.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/libxc_la-xc_f_s.Plo@am__quote@
@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/xc-info.Po@am__quote@
.c.o:
@am__fastdepCC_TRUE@ $(AM_V_CC)$(COMPILE) -MT $@ -MD -MP -MF $(DEPDIR)/$*.Tpo -c -o $@ $<
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/$*.Tpo $(DEPDIR)/$*.Po
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='$<' object='$@' libtool=no @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(COMPILE) -c $<
.c.obj:
@am__fastdepCC_TRUE@ $(AM_V_CC)$(COMPILE) -MT $@ -MD -MP -MF $(DEPDIR)/$*.Tpo -c -o $@ `$(CYGPATH_W) '$<'`
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/$*.Tpo $(DEPDIR)/$*.Po
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='$<' object='$@' libtool=no @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(COMPILE) -c `$(CYGPATH_W) '$<'`
.c.lo:
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LTCOMPILE) -MT $@ -MD -MP -MF $(DEPDIR)/$*.Tpo -c -o $@ $<
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/$*.Tpo $(DEPDIR)/$*.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='$<' object='$@' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LTCOMPILE) -c -o $@ $<
libxc_la-special_functions.lo: special_functions.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-special_functions.lo -MD -MP -MF $(DEPDIR)/libxc_la-special_functions.Tpo -c -o libxc_la-special_functions.lo `test -f 'special_functions.c' || echo '$(srcdir)/'`special_functions.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-special_functions.Tpo $(DEPDIR)/libxc_la-special_functions.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='special_functions.c' object='libxc_la-special_functions.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-special_functions.lo `test -f 'special_functions.c' || echo '$(srcdir)/'`special_functions.c
libxc_la-bessel.lo: bessel.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-bessel.lo -MD -MP -MF $(DEPDIR)/libxc_la-bessel.Tpo -c -o libxc_la-bessel.lo `test -f 'bessel.c' || echo '$(srcdir)/'`bessel.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-bessel.Tpo $(DEPDIR)/libxc_la-bessel.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='bessel.c' object='libxc_la-bessel.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-bessel.lo `test -f 'bessel.c' || echo '$(srcdir)/'`bessel.c
libxc_la-expint_e1.lo: expint_e1.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-expint_e1.lo -MD -MP -MF $(DEPDIR)/libxc_la-expint_e1.Tpo -c -o libxc_la-expint_e1.lo `test -f 'expint_e1.c' || echo '$(srcdir)/'`expint_e1.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-expint_e1.Tpo $(DEPDIR)/libxc_la-expint_e1.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='expint_e1.c' object='libxc_la-expint_e1.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-expint_e1.lo `test -f 'expint_e1.c' || echo '$(srcdir)/'`expint_e1.c
libxc_la-integrate.lo: integrate.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-integrate.lo -MD -MP -MF $(DEPDIR)/libxc_la-integrate.Tpo -c -o libxc_la-integrate.lo `test -f 'integrate.c' || echo '$(srcdir)/'`integrate.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-integrate.Tpo $(DEPDIR)/libxc_la-integrate.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='integrate.c' object='libxc_la-integrate.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-integrate.lo `test -f 'integrate.c' || echo '$(srcdir)/'`integrate.c
libxc_la-util.lo: util.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-util.lo -MD -MP -MF $(DEPDIR)/libxc_la-util.Tpo -c -o libxc_la-util.lo `test -f 'util.c' || echo '$(srcdir)/'`util.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-util.Tpo $(DEPDIR)/libxc_la-util.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='util.c' object='libxc_la-util.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-util.lo `test -f 'util.c' || echo '$(srcdir)/'`util.c
libxc_la-mix_func.lo: mix_func.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mix_func.lo -MD -MP -MF $(DEPDIR)/libxc_la-mix_func.Tpo -c -o libxc_la-mix_func.lo `test -f 'mix_func.c' || echo '$(srcdir)/'`mix_func.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mix_func.Tpo $(DEPDIR)/libxc_la-mix_func.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mix_func.c' object='libxc_la-mix_func.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mix_func.lo `test -f 'mix_func.c' || echo '$(srcdir)/'`mix_func.c
libxc_la-functionals.lo: functionals.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-functionals.lo -MD -MP -MF $(DEPDIR)/libxc_la-functionals.Tpo -c -o libxc_la-functionals.lo `test -f 'functionals.c' || echo '$(srcdir)/'`functionals.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-functionals.Tpo $(DEPDIR)/libxc_la-functionals.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='functionals.c' object='libxc_la-functionals.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-functionals.lo `test -f 'functionals.c' || echo '$(srcdir)/'`functionals.c
libxc_la-version.lo: version.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-version.lo -MD -MP -MF $(DEPDIR)/libxc_la-version.Tpo -c -o libxc_la-version.lo `test -f 'version.c' || echo '$(srcdir)/'`version.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-version.Tpo $(DEPDIR)/libxc_la-version.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='version.c' object='libxc_la-version.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-version.lo `test -f 'version.c' || echo '$(srcdir)/'`version.c
libxc_la-lda.lo: lda.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda.Tpo -c -o libxc_la-lda.lo `test -f 'lda.c' || echo '$(srcdir)/'`lda.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda.Tpo $(DEPDIR)/libxc_la-lda.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda.c' object='libxc_la-lda.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda.lo `test -f 'lda.c' || echo '$(srcdir)/'`lda.c
libxc_la-lda_x.lo: lda_x.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_x.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_x.Tpo -c -o libxc_la-lda_x.lo `test -f 'lda_x.c' || echo '$(srcdir)/'`lda_x.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_x.Tpo $(DEPDIR)/libxc_la-lda_x.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_x.c' object='libxc_la-lda_x.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_x.lo `test -f 'lda_x.c' || echo '$(srcdir)/'`lda_x.c
libxc_la-lda_x_1d.lo: lda_x_1d.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_x_1d.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_x_1d.Tpo -c -o libxc_la-lda_x_1d.lo `test -f 'lda_x_1d.c' || echo '$(srcdir)/'`lda_x_1d.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_x_1d.Tpo $(DEPDIR)/libxc_la-lda_x_1d.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_x_1d.c' object='libxc_la-lda_x_1d.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_x_1d.lo `test -f 'lda_x_1d.c' || echo '$(srcdir)/'`lda_x_1d.c
libxc_la-lda_x_2d.lo: lda_x_2d.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_x_2d.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_x_2d.Tpo -c -o libxc_la-lda_x_2d.lo `test -f 'lda_x_2d.c' || echo '$(srcdir)/'`lda_x_2d.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_x_2d.Tpo $(DEPDIR)/libxc_la-lda_x_2d.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_x_2d.c' object='libxc_la-lda_x_2d.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_x_2d.lo `test -f 'lda_x_2d.c' || echo '$(srcdir)/'`lda_x_2d.c
libxc_la-lda_c_wigner.lo: lda_c_wigner.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_wigner.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_wigner.Tpo -c -o libxc_la-lda_c_wigner.lo `test -f 'lda_c_wigner.c' || echo '$(srcdir)/'`lda_c_wigner.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_wigner.Tpo $(DEPDIR)/libxc_la-lda_c_wigner.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_wigner.c' object='libxc_la-lda_c_wigner.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_wigner.lo `test -f 'lda_c_wigner.c' || echo '$(srcdir)/'`lda_c_wigner.c
libxc_la-lda_c_gombas.lo: lda_c_gombas.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_gombas.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_gombas.Tpo -c -o libxc_la-lda_c_gombas.lo `test -f 'lda_c_gombas.c' || echo '$(srcdir)/'`lda_c_gombas.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_gombas.Tpo $(DEPDIR)/libxc_la-lda_c_gombas.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_gombas.c' object='libxc_la-lda_c_gombas.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_gombas.lo `test -f 'lda_c_gombas.c' || echo '$(srcdir)/'`lda_c_gombas.c
libxc_la-lda_c_rpa.lo: lda_c_rpa.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_rpa.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_rpa.Tpo -c -o libxc_la-lda_c_rpa.lo `test -f 'lda_c_rpa.c' || echo '$(srcdir)/'`lda_c_rpa.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_rpa.Tpo $(DEPDIR)/libxc_la-lda_c_rpa.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_rpa.c' object='libxc_la-lda_c_rpa.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_rpa.lo `test -f 'lda_c_rpa.c' || echo '$(srcdir)/'`lda_c_rpa.c
libxc_la-lda_c_hl.lo: lda_c_hl.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_hl.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_hl.Tpo -c -o libxc_la-lda_c_hl.lo `test -f 'lda_c_hl.c' || echo '$(srcdir)/'`lda_c_hl.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_hl.Tpo $(DEPDIR)/libxc_la-lda_c_hl.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_hl.c' object='libxc_la-lda_c_hl.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_hl.lo `test -f 'lda_c_hl.c' || echo '$(srcdir)/'`lda_c_hl.c
libxc_la-lda_c_vwn.lo: lda_c_vwn.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_vwn.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_vwn.Tpo -c -o libxc_la-lda_c_vwn.lo `test -f 'lda_c_vwn.c' || echo '$(srcdir)/'`lda_c_vwn.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_vwn.Tpo $(DEPDIR)/libxc_la-lda_c_vwn.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_vwn.c' object='libxc_la-lda_c_vwn.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_vwn.lo `test -f 'lda_c_vwn.c' || echo '$(srcdir)/'`lda_c_vwn.c
libxc_la-lda_c_pz.lo: lda_c_pz.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_pz.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_pz.Tpo -c -o libxc_la-lda_c_pz.lo `test -f 'lda_c_pz.c' || echo '$(srcdir)/'`lda_c_pz.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_pz.Tpo $(DEPDIR)/libxc_la-lda_c_pz.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_pz.c' object='libxc_la-lda_c_pz.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_pz.lo `test -f 'lda_c_pz.c' || echo '$(srcdir)/'`lda_c_pz.c
libxc_la-lda_c_pw.lo: lda_c_pw.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_pw.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_pw.Tpo -c -o libxc_la-lda_c_pw.lo `test -f 'lda_c_pw.c' || echo '$(srcdir)/'`lda_c_pw.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_pw.Tpo $(DEPDIR)/libxc_la-lda_c_pw.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_pw.c' object='libxc_la-lda_c_pw.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_pw.lo `test -f 'lda_c_pw.c' || echo '$(srcdir)/'`lda_c_pw.c
libxc_la-lda_c_ml1.lo: lda_c_ml1.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_ml1.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_ml1.Tpo -c -o libxc_la-lda_c_ml1.lo `test -f 'lda_c_ml1.c' || echo '$(srcdir)/'`lda_c_ml1.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_ml1.Tpo $(DEPDIR)/libxc_la-lda_c_ml1.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_ml1.c' object='libxc_la-lda_c_ml1.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_ml1.lo `test -f 'lda_c_ml1.c' || echo '$(srcdir)/'`lda_c_ml1.c
libxc_la-lda_c_rc04.lo: lda_c_rc04.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_rc04.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_rc04.Tpo -c -o libxc_la-lda_c_rc04.lo `test -f 'lda_c_rc04.c' || echo '$(srcdir)/'`lda_c_rc04.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_rc04.Tpo $(DEPDIR)/libxc_la-lda_c_rc04.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_rc04.c' object='libxc_la-lda_c_rc04.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_rc04.lo `test -f 'lda_c_rc04.c' || echo '$(srcdir)/'`lda_c_rc04.c
libxc_la-lda_xc_teter93.lo: lda_xc_teter93.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_xc_teter93.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_xc_teter93.Tpo -c -o libxc_la-lda_xc_teter93.lo `test -f 'lda_xc_teter93.c' || echo '$(srcdir)/'`lda_xc_teter93.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_xc_teter93.Tpo $(DEPDIR)/libxc_la-lda_xc_teter93.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_xc_teter93.c' object='libxc_la-lda_xc_teter93.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_xc_teter93.lo `test -f 'lda_xc_teter93.c' || echo '$(srcdir)/'`lda_xc_teter93.c
libxc_la-lda_c_1d_csc.lo: lda_c_1d_csc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_1d_csc.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_1d_csc.Tpo -c -o libxc_la-lda_c_1d_csc.lo `test -f 'lda_c_1d_csc.c' || echo '$(srcdir)/'`lda_c_1d_csc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_1d_csc.Tpo $(DEPDIR)/libxc_la-lda_c_1d_csc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_1d_csc.c' object='libxc_la-lda_c_1d_csc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_1d_csc.lo `test -f 'lda_c_1d_csc.c' || echo '$(srcdir)/'`lda_c_1d_csc.c
libxc_la-lda_c_1d_loos.lo: lda_c_1d_loos.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_1d_loos.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_1d_loos.Tpo -c -o libxc_la-lda_c_1d_loos.lo `test -f 'lda_c_1d_loos.c' || echo '$(srcdir)/'`lda_c_1d_loos.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_1d_loos.Tpo $(DEPDIR)/libxc_la-lda_c_1d_loos.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_1d_loos.c' object='libxc_la-lda_c_1d_loos.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_1d_loos.lo `test -f 'lda_c_1d_loos.c' || echo '$(srcdir)/'`lda_c_1d_loos.c
libxc_la-lda_c_2d_amgb.lo: lda_c_2d_amgb.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_2d_amgb.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_2d_amgb.Tpo -c -o libxc_la-lda_c_2d_amgb.lo `test -f 'lda_c_2d_amgb.c' || echo '$(srcdir)/'`lda_c_2d_amgb.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_2d_amgb.Tpo $(DEPDIR)/libxc_la-lda_c_2d_amgb.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_2d_amgb.c' object='libxc_la-lda_c_2d_amgb.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_2d_amgb.lo `test -f 'lda_c_2d_amgb.c' || echo '$(srcdir)/'`lda_c_2d_amgb.c
libxc_la-lda_c_2d_prm.lo: lda_c_2d_prm.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_2d_prm.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_2d_prm.Tpo -c -o libxc_la-lda_c_2d_prm.lo `test -f 'lda_c_2d_prm.c' || echo '$(srcdir)/'`lda_c_2d_prm.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_2d_prm.Tpo $(DEPDIR)/libxc_la-lda_c_2d_prm.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_2d_prm.c' object='libxc_la-lda_c_2d_prm.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_2d_prm.lo `test -f 'lda_c_2d_prm.c' || echo '$(srcdir)/'`lda_c_2d_prm.c
libxc_la-stoll.lo: stoll.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-stoll.lo -MD -MP -MF $(DEPDIR)/libxc_la-stoll.Tpo -c -o libxc_la-stoll.lo `test -f 'stoll.c' || echo '$(srcdir)/'`stoll.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-stoll.Tpo $(DEPDIR)/libxc_la-stoll.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='stoll.c' object='libxc_la-stoll.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-stoll.lo `test -f 'stoll.c' || echo '$(srcdir)/'`stoll.c
libxc_la-lda_k_tf.lo: lda_k_tf.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_k_tf.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_k_tf.Tpo -c -o libxc_la-lda_k_tf.lo `test -f 'lda_k_tf.c' || echo '$(srcdir)/'`lda_k_tf.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_k_tf.Tpo $(DEPDIR)/libxc_la-lda_k_tf.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_k_tf.c' object='libxc_la-lda_k_tf.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_k_tf.lo `test -f 'lda_k_tf.c' || echo '$(srcdir)/'`lda_k_tf.c
libxc_la-gga.lo: gga.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga.Tpo -c -o libxc_la-gga.lo `test -f 'gga.c' || echo '$(srcdir)/'`gga.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga.Tpo $(DEPDIR)/libxc_la-gga.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga.c' object='libxc_la-gga.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga.lo `test -f 'gga.c' || echo '$(srcdir)/'`gga.c
libxc_la-gga_x_lg93.lo: gga_x_lg93.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_lg93.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_lg93.Tpo -c -o libxc_la-gga_x_lg93.lo `test -f 'gga_x_lg93.c' || echo '$(srcdir)/'`gga_x_lg93.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_lg93.Tpo $(DEPDIR)/libxc_la-gga_x_lg93.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_lg93.c' object='libxc_la-gga_x_lg93.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_lg93.lo `test -f 'gga_x_lg93.c' || echo '$(srcdir)/'`gga_x_lg93.c
libxc_la-gga_x_pbe.lo: gga_x_pbe.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pbe.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pbe.Tpo -c -o libxc_la-gga_x_pbe.lo `test -f 'gga_x_pbe.c' || echo '$(srcdir)/'`gga_x_pbe.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pbe.Tpo $(DEPDIR)/libxc_la-gga_x_pbe.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pbe.c' object='libxc_la-gga_x_pbe.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pbe.lo `test -f 'gga_x_pbe.c' || echo '$(srcdir)/'`gga_x_pbe.c
libxc_la-gga_x_rpbe.lo: gga_x_rpbe.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_rpbe.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_rpbe.Tpo -c -o libxc_la-gga_x_rpbe.lo `test -f 'gga_x_rpbe.c' || echo '$(srcdir)/'`gga_x_rpbe.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_rpbe.Tpo $(DEPDIR)/libxc_la-gga_x_rpbe.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_rpbe.c' object='libxc_la-gga_x_rpbe.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_rpbe.lo `test -f 'gga_x_rpbe.c' || echo '$(srcdir)/'`gga_x_rpbe.c
libxc_la-gga_x_pbea.lo: gga_x_pbea.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pbea.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pbea.Tpo -c -o libxc_la-gga_x_pbea.lo `test -f 'gga_x_pbea.c' || echo '$(srcdir)/'`gga_x_pbea.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pbea.Tpo $(DEPDIR)/libxc_la-gga_x_pbea.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pbea.c' object='libxc_la-gga_x_pbea.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pbea.lo `test -f 'gga_x_pbea.c' || echo '$(srcdir)/'`gga_x_pbea.c
libxc_la-gga_x_mpbe.lo: gga_x_mpbe.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_mpbe.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_mpbe.Tpo -c -o libxc_la-gga_x_mpbe.lo `test -f 'gga_x_mpbe.c' || echo '$(srcdir)/'`gga_x_mpbe.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_mpbe.Tpo $(DEPDIR)/libxc_la-gga_x_mpbe.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_mpbe.c' object='libxc_la-gga_x_mpbe.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_mpbe.lo `test -f 'gga_x_mpbe.c' || echo '$(srcdir)/'`gga_x_mpbe.c
libxc_la-gga_x_herman.lo: gga_x_herman.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_herman.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_herman.Tpo -c -o libxc_la-gga_x_herman.lo `test -f 'gga_x_herman.c' || echo '$(srcdir)/'`gga_x_herman.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_herman.Tpo $(DEPDIR)/libxc_la-gga_x_herman.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_herman.c' object='libxc_la-gga_x_herman.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_herman.lo `test -f 'gga_x_herman.c' || echo '$(srcdir)/'`gga_x_herman.c
libxc_la-gga_x_b86.lo: gga_x_b86.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_b86.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_b86.Tpo -c -o libxc_la-gga_x_b86.lo `test -f 'gga_x_b86.c' || echo '$(srcdir)/'`gga_x_b86.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_b86.Tpo $(DEPDIR)/libxc_la-gga_x_b86.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_b86.c' object='libxc_la-gga_x_b86.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_b86.lo `test -f 'gga_x_b86.c' || echo '$(srcdir)/'`gga_x_b86.c
libxc_la-gga_x_b86_mgc.lo: gga_x_b86_mgc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_b86_mgc.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_b86_mgc.Tpo -c -o libxc_la-gga_x_b86_mgc.lo `test -f 'gga_x_b86_mgc.c' || echo '$(srcdir)/'`gga_x_b86_mgc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_b86_mgc.Tpo $(DEPDIR)/libxc_la-gga_x_b86_mgc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_b86_mgc.c' object='libxc_la-gga_x_b86_mgc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_b86_mgc.lo `test -f 'gga_x_b86_mgc.c' || echo '$(srcdir)/'`gga_x_b86_mgc.c
libxc_la-gga_x_b88.lo: gga_x_b88.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_b88.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_b88.Tpo -c -o libxc_la-gga_x_b88.lo `test -f 'gga_x_b88.c' || echo '$(srcdir)/'`gga_x_b88.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_b88.Tpo $(DEPDIR)/libxc_la-gga_x_b88.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_b88.c' object='libxc_la-gga_x_b88.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_b88.lo `test -f 'gga_x_b88.c' || echo '$(srcdir)/'`gga_x_b88.c
libxc_la-gga_x_g96.lo: gga_x_g96.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_g96.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_g96.Tpo -c -o libxc_la-gga_x_g96.lo `test -f 'gga_x_g96.c' || echo '$(srcdir)/'`gga_x_g96.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_g96.Tpo $(DEPDIR)/libxc_la-gga_x_g96.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_g96.c' object='libxc_la-gga_x_g96.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_g96.lo `test -f 'gga_x_g96.c' || echo '$(srcdir)/'`gga_x_g96.c
libxc_la-gga_x_pw86.lo: gga_x_pw86.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pw86.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pw86.Tpo -c -o libxc_la-gga_x_pw86.lo `test -f 'gga_x_pw86.c' || echo '$(srcdir)/'`gga_x_pw86.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pw86.Tpo $(DEPDIR)/libxc_la-gga_x_pw86.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pw86.c' object='libxc_la-gga_x_pw86.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pw86.lo `test -f 'gga_x_pw86.c' || echo '$(srcdir)/'`gga_x_pw86.c
libxc_la-gga_x_pw91.lo: gga_x_pw91.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pw91.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pw91.Tpo -c -o libxc_la-gga_x_pw91.lo `test -f 'gga_x_pw91.c' || echo '$(srcdir)/'`gga_x_pw91.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pw91.Tpo $(DEPDIR)/libxc_la-gga_x_pw91.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pw91.c' object='libxc_la-gga_x_pw91.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pw91.lo `test -f 'gga_x_pw91.c' || echo '$(srcdir)/'`gga_x_pw91.c
libxc_la-gga_x_optx.lo: gga_x_optx.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_optx.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_optx.Tpo -c -o libxc_la-gga_x_optx.lo `test -f 'gga_x_optx.c' || echo '$(srcdir)/'`gga_x_optx.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_optx.Tpo $(DEPDIR)/libxc_la-gga_x_optx.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_optx.c' object='libxc_la-gga_x_optx.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_optx.lo `test -f 'gga_x_optx.c' || echo '$(srcdir)/'`gga_x_optx.c
libxc_la-gga_x_airy.lo: gga_x_airy.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_airy.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_airy.Tpo -c -o libxc_la-gga_x_airy.lo `test -f 'gga_x_airy.c' || echo '$(srcdir)/'`gga_x_airy.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_airy.Tpo $(DEPDIR)/libxc_la-gga_x_airy.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_airy.c' object='libxc_la-gga_x_airy.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_airy.lo `test -f 'gga_x_airy.c' || echo '$(srcdir)/'`gga_x_airy.c
libxc_la-gga_x_c09x.lo: gga_x_c09x.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_c09x.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_c09x.Tpo -c -o libxc_la-gga_x_c09x.lo `test -f 'gga_x_c09x.c' || echo '$(srcdir)/'`gga_x_c09x.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_c09x.Tpo $(DEPDIR)/libxc_la-gga_x_c09x.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_c09x.c' object='libxc_la-gga_x_c09x.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_c09x.lo `test -f 'gga_x_c09x.c' || echo '$(srcdir)/'`gga_x_c09x.c
libxc_la-gga_x_dk87.lo: gga_x_dk87.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_dk87.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_dk87.Tpo -c -o libxc_la-gga_x_dk87.lo `test -f 'gga_x_dk87.c' || echo '$(srcdir)/'`gga_x_dk87.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_dk87.Tpo $(DEPDIR)/libxc_la-gga_x_dk87.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_dk87.c' object='libxc_la-gga_x_dk87.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_dk87.lo `test -f 'gga_x_dk87.c' || echo '$(srcdir)/'`gga_x_dk87.c
libxc_la-gga_x_ft97.lo: gga_x_ft97.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ft97.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ft97.Tpo -c -o libxc_la-gga_x_ft97.lo `test -f 'gga_x_ft97.c' || echo '$(srcdir)/'`gga_x_ft97.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ft97.Tpo $(DEPDIR)/libxc_la-gga_x_ft97.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ft97.c' object='libxc_la-gga_x_ft97.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ft97.lo `test -f 'gga_x_ft97.c' || echo '$(srcdir)/'`gga_x_ft97.c
libxc_la-gga_x_wc.lo: gga_x_wc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_wc.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_wc.Tpo -c -o libxc_la-gga_x_wc.lo `test -f 'gga_x_wc.c' || echo '$(srcdir)/'`gga_x_wc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_wc.Tpo $(DEPDIR)/libxc_la-gga_x_wc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_wc.c' object='libxc_la-gga_x_wc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_wc.lo `test -f 'gga_x_wc.c' || echo '$(srcdir)/'`gga_x_wc.c
libxc_la-gga_x_am05.lo: gga_x_am05.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_am05.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_am05.Tpo -c -o libxc_la-gga_x_am05.lo `test -f 'gga_x_am05.c' || echo '$(srcdir)/'`gga_x_am05.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_am05.Tpo $(DEPDIR)/libxc_la-gga_x_am05.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_am05.c' object='libxc_la-gga_x_am05.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_am05.lo `test -f 'gga_x_am05.c' || echo '$(srcdir)/'`gga_x_am05.c
libxc_la-gga_x_bayesian.lo: gga_x_bayesian.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_bayesian.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_bayesian.Tpo -c -o libxc_la-gga_x_bayesian.lo `test -f 'gga_x_bayesian.c' || echo '$(srcdir)/'`gga_x_bayesian.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_bayesian.Tpo $(DEPDIR)/libxc_la-gga_x_bayesian.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_bayesian.c' object='libxc_la-gga_x_bayesian.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_bayesian.lo `test -f 'gga_x_bayesian.c' || echo '$(srcdir)/'`gga_x_bayesian.c
libxc_la-gga_x_kt.lo: gga_x_kt.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_kt.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_kt.Tpo -c -o libxc_la-gga_x_kt.lo `test -f 'gga_x_kt.c' || echo '$(srcdir)/'`gga_x_kt.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_kt.Tpo $(DEPDIR)/libxc_la-gga_x_kt.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_kt.c' object='libxc_la-gga_x_kt.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_kt.lo `test -f 'gga_x_kt.c' || echo '$(srcdir)/'`gga_x_kt.c
libxc_la-gga_x_htbs.lo: gga_x_htbs.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_htbs.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_htbs.Tpo -c -o libxc_la-gga_x_htbs.lo `test -f 'gga_x_htbs.c' || echo '$(srcdir)/'`gga_x_htbs.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_htbs.Tpo $(DEPDIR)/libxc_la-gga_x_htbs.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_htbs.c' object='libxc_la-gga_x_htbs.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_htbs.lo `test -f 'gga_x_htbs.c' || echo '$(srcdir)/'`gga_x_htbs.c
libxc_la-gga_c_pbe.lo: gga_c_pbe.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_pbe.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_pbe.Tpo -c -o libxc_la-gga_c_pbe.lo `test -f 'gga_c_pbe.c' || echo '$(srcdir)/'`gga_c_pbe.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_pbe.Tpo $(DEPDIR)/libxc_la-gga_c_pbe.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_pbe.c' object='libxc_la-gga_c_pbe.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_pbe.lo `test -f 'gga_c_pbe.c' || echo '$(srcdir)/'`gga_c_pbe.c
libxc_la-gga_c_lyp.lo: gga_c_lyp.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_lyp.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_lyp.Tpo -c -o libxc_la-gga_c_lyp.lo `test -f 'gga_c_lyp.c' || echo '$(srcdir)/'`gga_c_lyp.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_lyp.Tpo $(DEPDIR)/libxc_la-gga_c_lyp.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_lyp.c' object='libxc_la-gga_c_lyp.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_lyp.lo `test -f 'gga_c_lyp.c' || echo '$(srcdir)/'`gga_c_lyp.c
libxc_la-gga_c_p86.lo: gga_c_p86.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_p86.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_p86.Tpo -c -o libxc_la-gga_c_p86.lo `test -f 'gga_c_p86.c' || echo '$(srcdir)/'`gga_c_p86.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_p86.Tpo $(DEPDIR)/libxc_la-gga_c_p86.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_p86.c' object='libxc_la-gga_c_p86.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_p86.lo `test -f 'gga_c_p86.c' || echo '$(srcdir)/'`gga_c_p86.c
libxc_la-gga_c_pw91.lo: gga_c_pw91.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_pw91.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_pw91.Tpo -c -o libxc_la-gga_c_pw91.lo `test -f 'gga_c_pw91.c' || echo '$(srcdir)/'`gga_c_pw91.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_pw91.Tpo $(DEPDIR)/libxc_la-gga_c_pw91.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_pw91.c' object='libxc_la-gga_c_pw91.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_pw91.lo `test -f 'gga_c_pw91.c' || echo '$(srcdir)/'`gga_c_pw91.c
libxc_la-gga_c_am05.lo: gga_c_am05.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_am05.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_am05.Tpo -c -o libxc_la-gga_c_am05.lo `test -f 'gga_c_am05.c' || echo '$(srcdir)/'`gga_c_am05.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_am05.Tpo $(DEPDIR)/libxc_la-gga_c_am05.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_am05.c' object='libxc_la-gga_c_am05.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_am05.lo `test -f 'gga_c_am05.c' || echo '$(srcdir)/'`gga_c_am05.c
libxc_la-gga_c_lm.lo: gga_c_lm.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_lm.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_lm.Tpo -c -o libxc_la-gga_c_lm.lo `test -f 'gga_c_lm.c' || echo '$(srcdir)/'`gga_c_lm.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_lm.Tpo $(DEPDIR)/libxc_la-gga_c_lm.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_lm.c' object='libxc_la-gga_c_lm.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_lm.lo `test -f 'gga_c_lm.c' || echo '$(srcdir)/'`gga_c_lm.c
libxc_la-gga_c_wl.lo: gga_c_wl.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_wl.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_wl.Tpo -c -o libxc_la-gga_c_wl.lo `test -f 'gga_c_wl.c' || echo '$(srcdir)/'`gga_c_wl.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_wl.Tpo $(DEPDIR)/libxc_la-gga_c_wl.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_wl.c' object='libxc_la-gga_c_wl.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_wl.lo `test -f 'gga_c_wl.c' || echo '$(srcdir)/'`gga_c_wl.c
libxc_la-gga_c_wi.lo: gga_c_wi.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_wi.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_wi.Tpo -c -o libxc_la-gga_c_wi.lo `test -f 'gga_c_wi.c' || echo '$(srcdir)/'`gga_c_wi.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_wi.Tpo $(DEPDIR)/libxc_la-gga_c_wi.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_wi.c' object='libxc_la-gga_c_wi.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_wi.lo `test -f 'gga_c_wi.c' || echo '$(srcdir)/'`gga_c_wi.c
libxc_la-gga_x_lb.lo: gga_x_lb.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_lb.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_lb.Tpo -c -o libxc_la-gga_x_lb.lo `test -f 'gga_x_lb.c' || echo '$(srcdir)/'`gga_x_lb.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_lb.Tpo $(DEPDIR)/libxc_la-gga_x_lb.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_lb.c' object='libxc_la-gga_x_lb.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_lb.lo `test -f 'gga_x_lb.c' || echo '$(srcdir)/'`gga_x_lb.c
libxc_la-gga_xc_b97.lo: gga_xc_b97.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_b97.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_b97.Tpo -c -o libxc_la-gga_xc_b97.lo `test -f 'gga_xc_b97.c' || echo '$(srcdir)/'`gga_xc_b97.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_b97.Tpo $(DEPDIR)/libxc_la-gga_xc_b97.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_b97.c' object='libxc_la-gga_xc_b97.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_b97.lo `test -f 'gga_xc_b97.c' || echo '$(srcdir)/'`gga_xc_b97.c
libxc_la-gga_xc_edf1.lo: gga_xc_edf1.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_edf1.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_edf1.Tpo -c -o libxc_la-gga_xc_edf1.lo `test -f 'gga_xc_edf1.c' || echo '$(srcdir)/'`gga_xc_edf1.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_edf1.Tpo $(DEPDIR)/libxc_la-gga_xc_edf1.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_edf1.c' object='libxc_la-gga_xc_edf1.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_edf1.lo `test -f 'gga_xc_edf1.c' || echo '$(srcdir)/'`gga_xc_edf1.c
libxc_la-gga_xc_1w.lo: gga_xc_1w.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_1w.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_1w.Tpo -c -o libxc_la-gga_xc_1w.lo `test -f 'gga_xc_1w.c' || echo '$(srcdir)/'`gga_xc_1w.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_1w.Tpo $(DEPDIR)/libxc_la-gga_xc_1w.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_1w.c' object='libxc_la-gga_xc_1w.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_1w.lo `test -f 'gga_xc_1w.c' || echo '$(srcdir)/'`gga_xc_1w.c
libxc_la-gga_c_optc.lo: gga_c_optc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_optc.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_optc.Tpo -c -o libxc_la-gga_c_optc.lo `test -f 'gga_c_optc.c' || echo '$(srcdir)/'`gga_c_optc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_optc.Tpo $(DEPDIR)/libxc_la-gga_c_optc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_optc.c' object='libxc_la-gga_c_optc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_optc.lo `test -f 'gga_c_optc.c' || echo '$(srcdir)/'`gga_c_optc.c
libxc_la-gga_c_tca.lo: gga_c_tca.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_tca.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_tca.Tpo -c -o libxc_la-gga_c_tca.lo `test -f 'gga_c_tca.c' || echo '$(srcdir)/'`gga_c_tca.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_tca.Tpo $(DEPDIR)/libxc_la-gga_c_tca.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_tca.c' object='libxc_la-gga_c_tca.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_tca.lo `test -f 'gga_c_tca.c' || echo '$(srcdir)/'`gga_c_tca.c
libxc_la-gga_x_bpccac.lo: gga_x_bpccac.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_bpccac.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_bpccac.Tpo -c -o libxc_la-gga_x_bpccac.lo `test -f 'gga_x_bpccac.c' || echo '$(srcdir)/'`gga_x_bpccac.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_bpccac.Tpo $(DEPDIR)/libxc_la-gga_x_bpccac.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_bpccac.c' object='libxc_la-gga_x_bpccac.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_bpccac.lo `test -f 'gga_x_bpccac.c' || echo '$(srcdir)/'`gga_x_bpccac.c
libxc_la-gga_x_sogga11.lo: gga_x_sogga11.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_sogga11.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_sogga11.Tpo -c -o libxc_la-gga_x_sogga11.lo `test -f 'gga_x_sogga11.c' || echo '$(srcdir)/'`gga_x_sogga11.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_sogga11.Tpo $(DEPDIR)/libxc_la-gga_x_sogga11.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_sogga11.c' object='libxc_la-gga_x_sogga11.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_sogga11.lo `test -f 'gga_x_sogga11.c' || echo '$(srcdir)/'`gga_x_sogga11.c
libxc_la-gga_c_sogga11.lo: gga_c_sogga11.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_sogga11.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_sogga11.Tpo -c -o libxc_la-gga_c_sogga11.lo `test -f 'gga_c_sogga11.c' || echo '$(srcdir)/'`gga_c_sogga11.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_sogga11.Tpo $(DEPDIR)/libxc_la-gga_c_sogga11.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_sogga11.c' object='libxc_la-gga_c_sogga11.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_sogga11.lo `test -f 'gga_c_sogga11.c' || echo '$(srcdir)/'`gga_c_sogga11.c
libxc_la-gga_xc_th.lo: gga_xc_th.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_th.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_th.Tpo -c -o libxc_la-gga_xc_th.lo `test -f 'gga_xc_th.c' || echo '$(srcdir)/'`gga_xc_th.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_th.Tpo $(DEPDIR)/libxc_la-gga_xc_th.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_th.c' object='libxc_la-gga_xc_th.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_th.lo `test -f 'gga_xc_th.c' || echo '$(srcdir)/'`gga_xc_th.c
libxc_la-gga_x_wpbeh.lo: gga_x_wpbeh.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_wpbeh.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_wpbeh.Tpo -c -o libxc_la-gga_x_wpbeh.lo `test -f 'gga_x_wpbeh.c' || echo '$(srcdir)/'`gga_x_wpbeh.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_wpbeh.Tpo $(DEPDIR)/libxc_la-gga_x_wpbeh.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_wpbeh.c' object='libxc_la-gga_x_wpbeh.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_wpbeh.lo `test -f 'gga_x_wpbeh.c' || echo '$(srcdir)/'`gga_x_wpbeh.c
libxc_la-gga_x_hjs.lo: gga_x_hjs.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_hjs.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_hjs.Tpo -c -o libxc_la-gga_x_hjs.lo `test -f 'gga_x_hjs.c' || echo '$(srcdir)/'`gga_x_hjs.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_hjs.Tpo $(DEPDIR)/libxc_la-gga_x_hjs.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_hjs.c' object='libxc_la-gga_x_hjs.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_hjs.lo `test -f 'gga_x_hjs.c' || echo '$(srcdir)/'`gga_x_hjs.c
libxc_la-gga_x_ityh.lo: gga_x_ityh.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ityh.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ityh.Tpo -c -o libxc_la-gga_x_ityh.lo `test -f 'gga_x_ityh.c' || echo '$(srcdir)/'`gga_x_ityh.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ityh.Tpo $(DEPDIR)/libxc_la-gga_x_ityh.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ityh.c' object='libxc_la-gga_x_ityh.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ityh.lo `test -f 'gga_x_ityh.c' || echo '$(srcdir)/'`gga_x_ityh.c
libxc_la-gga_x_sfat.lo: gga_x_sfat.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_sfat.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_sfat.Tpo -c -o libxc_la-gga_x_sfat.lo `test -f 'gga_x_sfat.c' || echo '$(srcdir)/'`gga_x_sfat.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_sfat.Tpo $(DEPDIR)/libxc_la-gga_x_sfat.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_sfat.c' object='libxc_la-gga_x_sfat.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_sfat.lo `test -f 'gga_x_sfat.c' || echo '$(srcdir)/'`gga_x_sfat.c
libxc_la-gga_x_ak13.lo: gga_x_ak13.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ak13.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ak13.Tpo -c -o libxc_la-gga_x_ak13.lo `test -f 'gga_x_ak13.c' || echo '$(srcdir)/'`gga_x_ak13.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ak13.Tpo $(DEPDIR)/libxc_la-gga_x_ak13.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ak13.c' object='libxc_la-gga_x_ak13.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ak13.lo `test -f 'gga_x_ak13.c' || echo '$(srcdir)/'`gga_x_ak13.c
libxc_la-gga_x_q2d.lo: gga_x_q2d.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_q2d.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_q2d.Tpo -c -o libxc_la-gga_x_q2d.lo `test -f 'gga_x_q2d.c' || echo '$(srcdir)/'`gga_x_q2d.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_q2d.Tpo $(DEPDIR)/libxc_la-gga_x_q2d.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_q2d.c' object='libxc_la-gga_x_q2d.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_q2d.lo `test -f 'gga_x_q2d.c' || echo '$(srcdir)/'`gga_x_q2d.c
libxc_la-gga_c_q2d.lo: gga_c_q2d.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_q2d.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_q2d.Tpo -c -o libxc_la-gga_c_q2d.lo `test -f 'gga_c_q2d.c' || echo '$(srcdir)/'`gga_c_q2d.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_q2d.Tpo $(DEPDIR)/libxc_la-gga_c_q2d.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_q2d.c' object='libxc_la-gga_c_q2d.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_q2d.lo `test -f 'gga_c_q2d.c' || echo '$(srcdir)/'`gga_c_q2d.c
libxc_la-gga_x_ssb_sw.lo: gga_x_ssb_sw.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ssb_sw.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ssb_sw.Tpo -c -o libxc_la-gga_x_ssb_sw.lo `test -f 'gga_x_ssb_sw.c' || echo '$(srcdir)/'`gga_x_ssb_sw.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ssb_sw.Tpo $(DEPDIR)/libxc_la-gga_x_ssb_sw.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ssb_sw.c' object='libxc_la-gga_x_ssb_sw.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ssb_sw.lo `test -f 'gga_x_ssb_sw.c' || echo '$(srcdir)/'`gga_x_ssb_sw.c
libxc_la-gga_c_ft97.lo: gga_c_ft97.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_ft97.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_ft97.Tpo -c -o libxc_la-gga_c_ft97.lo `test -f 'gga_c_ft97.c' || echo '$(srcdir)/'`gga_c_ft97.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_ft97.Tpo $(DEPDIR)/libxc_la-gga_c_ft97.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_ft97.c' object='libxc_la-gga_c_ft97.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_ft97.lo `test -f 'gga_c_ft97.c' || echo '$(srcdir)/'`gga_c_ft97.c
libxc_la-gga_c_op.lo: gga_c_op.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_op.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_op.Tpo -c -o libxc_la-gga_c_op.lo `test -f 'gga_c_op.c' || echo '$(srcdir)/'`gga_c_op.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_op.Tpo $(DEPDIR)/libxc_la-gga_c_op.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_op.c' object='libxc_la-gga_c_op.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_op.lo `test -f 'gga_c_op.c' || echo '$(srcdir)/'`gga_c_op.c
libxc_la-gga_x_n12.lo: gga_x_n12.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_n12.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_n12.Tpo -c -o libxc_la-gga_x_n12.lo `test -f 'gga_x_n12.c' || echo '$(srcdir)/'`gga_x_n12.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_n12.Tpo $(DEPDIR)/libxc_la-gga_x_n12.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_n12.c' object='libxc_la-gga_x_n12.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_n12.lo `test -f 'gga_x_n12.c' || echo '$(srcdir)/'`gga_x_n12.c
libxc_la-gga_x_lv_rpw86.lo: gga_x_lv_rpw86.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_lv_rpw86.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_lv_rpw86.Tpo -c -o libxc_la-gga_x_lv_rpw86.lo `test -f 'gga_x_lv_rpw86.c' || echo '$(srcdir)/'`gga_x_lv_rpw86.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_lv_rpw86.Tpo $(DEPDIR)/libxc_la-gga_x_lv_rpw86.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_lv_rpw86.c' object='libxc_la-gga_x_lv_rpw86.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_lv_rpw86.lo `test -f 'gga_x_lv_rpw86.c' || echo '$(srcdir)/'`gga_x_lv_rpw86.c
libxc_la-gga_x_2d_b86.lo: gga_x_2d_b86.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_b86.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_b86.Tpo -c -o libxc_la-gga_x_2d_b86.lo `test -f 'gga_x_2d_b86.c' || echo '$(srcdir)/'`gga_x_2d_b86.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_b86.Tpo $(DEPDIR)/libxc_la-gga_x_2d_b86.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_b86.c' object='libxc_la-gga_x_2d_b86.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_b86.lo `test -f 'gga_x_2d_b86.c' || echo '$(srcdir)/'`gga_x_2d_b86.c
libxc_la-gga_x_2d_b86_mgc.lo: gga_x_2d_b86_mgc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_b86_mgc.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_b86_mgc.Tpo -c -o libxc_la-gga_x_2d_b86_mgc.lo `test -f 'gga_x_2d_b86_mgc.c' || echo '$(srcdir)/'`gga_x_2d_b86_mgc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_b86_mgc.Tpo $(DEPDIR)/libxc_la-gga_x_2d_b86_mgc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_b86_mgc.c' object='libxc_la-gga_x_2d_b86_mgc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_b86_mgc.lo `test -f 'gga_x_2d_b86_mgc.c' || echo '$(srcdir)/'`gga_x_2d_b86_mgc.c
libxc_la-gga_x_2d_b88.lo: gga_x_2d_b88.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_b88.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_b88.Tpo -c -o libxc_la-gga_x_2d_b88.lo `test -f 'gga_x_2d_b88.c' || echo '$(srcdir)/'`gga_x_2d_b88.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_b88.Tpo $(DEPDIR)/libxc_la-gga_x_2d_b88.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_b88.c' object='libxc_la-gga_x_2d_b88.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_b88.lo `test -f 'gga_x_2d_b88.c' || echo '$(srcdir)/'`gga_x_2d_b88.c
libxc_la-gga_x_2d_pbe.lo: gga_x_2d_pbe.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_pbe.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_pbe.Tpo -c -o libxc_la-gga_x_2d_pbe.lo `test -f 'gga_x_2d_pbe.c' || echo '$(srcdir)/'`gga_x_2d_pbe.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_pbe.Tpo $(DEPDIR)/libxc_la-gga_x_2d_pbe.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_pbe.c' object='libxc_la-gga_x_2d_pbe.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_pbe.lo `test -f 'gga_x_2d_pbe.c' || echo '$(srcdir)/'`gga_x_2d_pbe.c
libxc_la-gga_k_tflw.lo: gga_k_tflw.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_tflw.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_tflw.Tpo -c -o libxc_la-gga_k_tflw.lo `test -f 'gga_k_tflw.c' || echo '$(srcdir)/'`gga_k_tflw.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_tflw.Tpo $(DEPDIR)/libxc_la-gga_k_tflw.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_tflw.c' object='libxc_la-gga_k_tflw.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_tflw.lo `test -f 'gga_k_tflw.c' || echo '$(srcdir)/'`gga_k_tflw.c
libxc_la-gga_k_pearson.lo: gga_k_pearson.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_pearson.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_pearson.Tpo -c -o libxc_la-gga_k_pearson.lo `test -f 'gga_k_pearson.c' || echo '$(srcdir)/'`gga_k_pearson.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_pearson.Tpo $(DEPDIR)/libxc_la-gga_k_pearson.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_pearson.c' object='libxc_la-gga_k_pearson.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_pearson.lo `test -f 'gga_k_pearson.c' || echo '$(srcdir)/'`gga_k_pearson.c
libxc_la-gga_k_ol1.lo: gga_k_ol1.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_ol1.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_ol1.Tpo -c -o libxc_la-gga_k_ol1.lo `test -f 'gga_k_ol1.c' || echo '$(srcdir)/'`gga_k_ol1.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_ol1.Tpo $(DEPDIR)/libxc_la-gga_k_ol1.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_ol1.c' object='libxc_la-gga_k_ol1.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_ol1.lo `test -f 'gga_k_ol1.c' || echo '$(srcdir)/'`gga_k_ol1.c
libxc_la-gga_k_ol2.lo: gga_k_ol2.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_ol2.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_ol2.Tpo -c -o libxc_la-gga_k_ol2.lo `test -f 'gga_k_ol2.c' || echo '$(srcdir)/'`gga_k_ol2.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_ol2.Tpo $(DEPDIR)/libxc_la-gga_k_ol2.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_ol2.c' object='libxc_la-gga_k_ol2.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_ol2.lo `test -f 'gga_k_ol2.c' || echo '$(srcdir)/'`gga_k_ol2.c
libxc_la-gga_k_dk.lo: gga_k_dk.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_dk.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_dk.Tpo -c -o libxc_la-gga_k_dk.lo `test -f 'gga_k_dk.c' || echo '$(srcdir)/'`gga_k_dk.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_dk.Tpo $(DEPDIR)/libxc_la-gga_k_dk.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_dk.c' object='libxc_la-gga_k_dk.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_dk.lo `test -f 'gga_k_dk.c' || echo '$(srcdir)/'`gga_k_dk.c
libxc_la-gga_k_meyer.lo: gga_k_meyer.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_meyer.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_meyer.Tpo -c -o libxc_la-gga_k_meyer.lo `test -f 'gga_k_meyer.c' || echo '$(srcdir)/'`gga_k_meyer.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_meyer.Tpo $(DEPDIR)/libxc_la-gga_k_meyer.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_meyer.c' object='libxc_la-gga_k_meyer.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_meyer.lo `test -f 'gga_k_meyer.c' || echo '$(srcdir)/'`gga_k_meyer.c
libxc_la-gga_x_vmt.lo: gga_x_vmt.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_vmt.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_vmt.Tpo -c -o libxc_la-gga_x_vmt.lo `test -f 'gga_x_vmt.c' || echo '$(srcdir)/'`gga_x_vmt.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_vmt.Tpo $(DEPDIR)/libxc_la-gga_x_vmt.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_vmt.c' object='libxc_la-gga_x_vmt.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_vmt.lo `test -f 'gga_x_vmt.c' || echo '$(srcdir)/'`gga_x_vmt.c
libxc_la-gga_xc_oblyp_d.lo: gga_xc_oblyp_d.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_oblyp_d.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_oblyp_d.Tpo -c -o libxc_la-gga_xc_oblyp_d.lo `test -f 'gga_xc_oblyp_d.c' || echo '$(srcdir)/'`gga_xc_oblyp_d.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_oblyp_d.Tpo $(DEPDIR)/libxc_la-gga_xc_oblyp_d.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_oblyp_d.c' object='libxc_la-gga_xc_oblyp_d.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_oblyp_d.lo `test -f 'gga_xc_oblyp_d.c' || echo '$(srcdir)/'`gga_xc_oblyp_d.c
libxc_la-hyb_gga_xc_b3lyp.lo: hyb_gga_xc_b3lyp.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_b3lyp.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp.Tpo -c -o libxc_la-hyb_gga_xc_b3lyp.lo `test -f 'hyb_gga_xc_b3lyp.c' || echo '$(srcdir)/'`hyb_gga_xc_b3lyp.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_b3lyp.c' object='libxc_la-hyb_gga_xc_b3lyp.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_b3lyp.lo `test -f 'hyb_gga_xc_b3lyp.c' || echo '$(srcdir)/'`hyb_gga_xc_b3lyp.c
libxc_la-hyb_gga_xc_o3lyp.lo: hyb_gga_xc_o3lyp.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_o3lyp.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp.Tpo -c -o libxc_la-hyb_gga_xc_o3lyp.lo `test -f 'hyb_gga_xc_o3lyp.c' || echo '$(srcdir)/'`hyb_gga_xc_o3lyp.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_o3lyp.c' object='libxc_la-hyb_gga_xc_o3lyp.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_o3lyp.lo `test -f 'hyb_gga_xc_o3lyp.c' || echo '$(srcdir)/'`hyb_gga_xc_o3lyp.c
libxc_la-hyb_gga_xc_pbeh.lo: hyb_gga_xc_pbeh.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_pbeh.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_pbeh.Tpo -c -o libxc_la-hyb_gga_xc_pbeh.lo `test -f 'hyb_gga_xc_pbeh.c' || echo '$(srcdir)/'`hyb_gga_xc_pbeh.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_pbeh.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_pbeh.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_pbeh.c' object='libxc_la-hyb_gga_xc_pbeh.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_pbeh.lo `test -f 'hyb_gga_xc_pbeh.c' || echo '$(srcdir)/'`hyb_gga_xc_pbeh.c
libxc_la-hyb_gga_xc_b1wc.lo: hyb_gga_xc_b1wc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_b1wc.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_b1wc.Tpo -c -o libxc_la-hyb_gga_xc_b1wc.lo `test -f 'hyb_gga_xc_b1wc.c' || echo '$(srcdir)/'`hyb_gga_xc_b1wc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_b1wc.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_b1wc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_b1wc.c' object='libxc_la-hyb_gga_xc_b1wc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_b1wc.lo `test -f 'hyb_gga_xc_b1wc.c' || echo '$(srcdir)/'`hyb_gga_xc_b1wc.c
libxc_la-hyb_gga_xc_b97.lo: hyb_gga_xc_b97.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_b97.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_b97.Tpo -c -o libxc_la-hyb_gga_xc_b97.lo `test -f 'hyb_gga_xc_b97.c' || echo '$(srcdir)/'`hyb_gga_xc_b97.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_b97.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_b97.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_b97.c' object='libxc_la-hyb_gga_xc_b97.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_b97.lo `test -f 'hyb_gga_xc_b97.c' || echo '$(srcdir)/'`hyb_gga_xc_b97.c
libxc_la-hyb_gga_xc_hse.lo: hyb_gga_xc_hse.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_hse.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_hse.Tpo -c -o libxc_la-hyb_gga_xc_hse.lo `test -f 'hyb_gga_xc_hse.c' || echo '$(srcdir)/'`hyb_gga_xc_hse.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_hse.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_hse.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_hse.c' object='libxc_la-hyb_gga_xc_hse.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_hse.lo `test -f 'hyb_gga_xc_hse.c' || echo '$(srcdir)/'`hyb_gga_xc_hse.c
libxc_la-hyb_gga_xc_cam_b3lyp.lo: hyb_gga_xc_cam_b3lyp.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_cam_b3lyp.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp.Tpo -c -o libxc_la-hyb_gga_xc_cam_b3lyp.lo `test -f 'hyb_gga_xc_cam_b3lyp.c' || echo '$(srcdir)/'`hyb_gga_xc_cam_b3lyp.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_cam_b3lyp.c' object='libxc_la-hyb_gga_xc_cam_b3lyp.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_cam_b3lyp.lo `test -f 'hyb_gga_xc_cam_b3lyp.c' || echo '$(srcdir)/'`hyb_gga_xc_cam_b3lyp.c
libxc_la-hyb_gga_xc_camy_blyp.lo: hyb_gga_xc_camy_blyp.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_camy_blyp.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp.Tpo -c -o libxc_la-hyb_gga_xc_camy_blyp.lo `test -f 'hyb_gga_xc_camy_blyp.c' || echo '$(srcdir)/'`hyb_gga_xc_camy_blyp.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_camy_blyp.c' object='libxc_la-hyb_gga_xc_camy_blyp.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_camy_blyp.lo `test -f 'hyb_gga_xc_camy_blyp.c' || echo '$(srcdir)/'`hyb_gga_xc_camy_blyp.c
libxc_la-mgga.lo: mgga.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga.Tpo -c -o libxc_la-mgga.lo `test -f 'mgga.c' || echo '$(srcdir)/'`mgga.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga.Tpo $(DEPDIR)/libxc_la-mgga.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga.c' object='libxc_la-mgga.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga.lo `test -f 'mgga.c' || echo '$(srcdir)/'`mgga.c
libxc_la-mgga_x_lta.lo: mgga_x_lta.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_lta.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_lta.Tpo -c -o libxc_la-mgga_x_lta.lo `test -f 'mgga_x_lta.c' || echo '$(srcdir)/'`mgga_x_lta.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_lta.Tpo $(DEPDIR)/libxc_la-mgga_x_lta.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_lta.c' object='libxc_la-mgga_x_lta.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_lta.lo `test -f 'mgga_x_lta.c' || echo '$(srcdir)/'`mgga_x_lta.c
libxc_la-mgga_x_tpss.lo: mgga_x_tpss.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_tpss.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_tpss.Tpo -c -o libxc_la-mgga_x_tpss.lo `test -f 'mgga_x_tpss.c' || echo '$(srcdir)/'`mgga_x_tpss.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_tpss.Tpo $(DEPDIR)/libxc_la-mgga_x_tpss.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_tpss.c' object='libxc_la-mgga_x_tpss.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_tpss.lo `test -f 'mgga_x_tpss.c' || echo '$(srcdir)/'`mgga_x_tpss.c
libxc_la-mgga_x_br89.lo: mgga_x_br89.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_br89.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_br89.Tpo -c -o libxc_la-mgga_x_br89.lo `test -f 'mgga_x_br89.c' || echo '$(srcdir)/'`mgga_x_br89.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_br89.Tpo $(DEPDIR)/libxc_la-mgga_x_br89.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_br89.c' object='libxc_la-mgga_x_br89.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_br89.lo `test -f 'mgga_x_br89.c' || echo '$(srcdir)/'`mgga_x_br89.c
libxc_la-mgga_x_gvt4.lo: mgga_x_gvt4.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_gvt4.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_gvt4.Tpo -c -o libxc_la-mgga_x_gvt4.lo `test -f 'mgga_x_gvt4.c' || echo '$(srcdir)/'`mgga_x_gvt4.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_gvt4.Tpo $(DEPDIR)/libxc_la-mgga_x_gvt4.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_gvt4.c' object='libxc_la-mgga_x_gvt4.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_gvt4.lo `test -f 'mgga_x_gvt4.c' || echo '$(srcdir)/'`mgga_x_gvt4.c
libxc_la-mgga_x_m06l.lo: mgga_x_m06l.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_m06l.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_m06l.Tpo -c -o libxc_la-mgga_x_m06l.lo `test -f 'mgga_x_m06l.c' || echo '$(srcdir)/'`mgga_x_m06l.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_m06l.Tpo $(DEPDIR)/libxc_la-mgga_x_m06l.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_m06l.c' object='libxc_la-mgga_x_m06l.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_m06l.lo `test -f 'mgga_x_m06l.c' || echo '$(srcdir)/'`mgga_x_m06l.c
libxc_la-mgga_x_tau_hcth.lo: mgga_x_tau_hcth.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_tau_hcth.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_tau_hcth.Tpo -c -o libxc_la-mgga_x_tau_hcth.lo `test -f 'mgga_x_tau_hcth.c' || echo '$(srcdir)/'`mgga_x_tau_hcth.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_tau_hcth.Tpo $(DEPDIR)/libxc_la-mgga_x_tau_hcth.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_tau_hcth.c' object='libxc_la-mgga_x_tau_hcth.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_tau_hcth.lo `test -f 'mgga_x_tau_hcth.c' || echo '$(srcdir)/'`mgga_x_tau_hcth.c
libxc_la-mgga_x_2d_prhg07.lo: mgga_x_2d_prhg07.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_2d_prhg07.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_2d_prhg07.Tpo -c -o libxc_la-mgga_x_2d_prhg07.lo `test -f 'mgga_x_2d_prhg07.c' || echo '$(srcdir)/'`mgga_x_2d_prhg07.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_2d_prhg07.Tpo $(DEPDIR)/libxc_la-mgga_x_2d_prhg07.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_2d_prhg07.c' object='libxc_la-mgga_x_2d_prhg07.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_2d_prhg07.lo `test -f 'mgga_x_2d_prhg07.c' || echo '$(srcdir)/'`mgga_x_2d_prhg07.c
libxc_la-mgga_x_pkzb.lo: mgga_x_pkzb.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_pkzb.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_pkzb.Tpo -c -o libxc_la-mgga_x_pkzb.lo `test -f 'mgga_x_pkzb.c' || echo '$(srcdir)/'`mgga_x_pkzb.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_pkzb.Tpo $(DEPDIR)/libxc_la-mgga_x_pkzb.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_pkzb.c' object='libxc_la-mgga_x_pkzb.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_pkzb.lo `test -f 'mgga_x_pkzb.c' || echo '$(srcdir)/'`mgga_x_pkzb.c
libxc_la-mgga_x_m05.lo: mgga_x_m05.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_m05.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_m05.Tpo -c -o libxc_la-mgga_x_m05.lo `test -f 'mgga_x_m05.c' || echo '$(srcdir)/'`mgga_x_m05.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_m05.Tpo $(DEPDIR)/libxc_la-mgga_x_m05.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_m05.c' object='libxc_la-mgga_x_m05.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_m05.lo `test -f 'mgga_x_m05.c' || echo '$(srcdir)/'`mgga_x_m05.c
libxc_la-mgga_x_m08.lo: mgga_x_m08.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_m08.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_m08.Tpo -c -o libxc_la-mgga_x_m08.lo `test -f 'mgga_x_m08.c' || echo '$(srcdir)/'`mgga_x_m08.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_m08.Tpo $(DEPDIR)/libxc_la-mgga_x_m08.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_m08.c' object='libxc_la-mgga_x_m08.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_m08.lo `test -f 'mgga_x_m08.c' || echo '$(srcdir)/'`mgga_x_m08.c
libxc_la-mgga_x_ms.lo: mgga_x_ms.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_ms.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_ms.Tpo -c -o libxc_la-mgga_x_ms.lo `test -f 'mgga_x_ms.c' || echo '$(srcdir)/'`mgga_x_ms.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_ms.Tpo $(DEPDIR)/libxc_la-mgga_x_ms.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_ms.c' object='libxc_la-mgga_x_ms.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_ms.lo `test -f 'mgga_x_ms.c' || echo '$(srcdir)/'`mgga_x_ms.c
libxc_la-mgga_x_mn12.lo: mgga_x_mn12.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_mn12.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_mn12.Tpo -c -o libxc_la-mgga_x_mn12.lo `test -f 'mgga_x_mn12.c' || echo '$(srcdir)/'`mgga_x_mn12.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_mn12.Tpo $(DEPDIR)/libxc_la-mgga_x_mn12.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_mn12.c' object='libxc_la-mgga_x_mn12.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_mn12.lo `test -f 'mgga_x_mn12.c' || echo '$(srcdir)/'`mgga_x_mn12.c
libxc_la-mgga_x_mk00.lo: mgga_x_mk00.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_mk00.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_mk00.Tpo -c -o libxc_la-mgga_x_mk00.lo `test -f 'mgga_x_mk00.c' || echo '$(srcdir)/'`mgga_x_mk00.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_mk00.Tpo $(DEPDIR)/libxc_la-mgga_x_mk00.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_mk00.c' object='libxc_la-mgga_x_mk00.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_mk00.lo `test -f 'mgga_x_mk00.c' || echo '$(srcdir)/'`mgga_x_mk00.c
libxc_la-mgga_c_vsxc.lo: mgga_c_vsxc.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_vsxc.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_vsxc.Tpo -c -o libxc_la-mgga_c_vsxc.lo `test -f 'mgga_c_vsxc.c' || echo '$(srcdir)/'`mgga_c_vsxc.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_vsxc.Tpo $(DEPDIR)/libxc_la-mgga_c_vsxc.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_vsxc.c' object='libxc_la-mgga_c_vsxc.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_vsxc.lo `test -f 'mgga_c_vsxc.c' || echo '$(srcdir)/'`mgga_c_vsxc.c
libxc_la-mgga_c_pkzb.lo: mgga_c_pkzb.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_pkzb.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_pkzb.Tpo -c -o libxc_la-mgga_c_pkzb.lo `test -f 'mgga_c_pkzb.c' || echo '$(srcdir)/'`mgga_c_pkzb.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_pkzb.Tpo $(DEPDIR)/libxc_la-mgga_c_pkzb.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_pkzb.c' object='libxc_la-mgga_c_pkzb.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_pkzb.lo `test -f 'mgga_c_pkzb.c' || echo '$(srcdir)/'`mgga_c_pkzb.c
libxc_la-mgga_c_bc95.lo: mgga_c_bc95.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_bc95.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_bc95.Tpo -c -o libxc_la-mgga_c_bc95.lo `test -f 'mgga_c_bc95.c' || echo '$(srcdir)/'`mgga_c_bc95.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_bc95.Tpo $(DEPDIR)/libxc_la-mgga_c_bc95.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_bc95.c' object='libxc_la-mgga_c_bc95.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_bc95.lo `test -f 'mgga_c_bc95.c' || echo '$(srcdir)/'`mgga_c_bc95.c
libxc_la-mgga_c_m08.lo: mgga_c_m08.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_m08.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_m08.Tpo -c -o libxc_la-mgga_c_m08.lo `test -f 'mgga_c_m08.c' || echo '$(srcdir)/'`mgga_c_m08.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_m08.Tpo $(DEPDIR)/libxc_la-mgga_c_m08.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_m08.c' object='libxc_la-mgga_c_m08.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_m08.lo `test -f 'mgga_c_m08.c' || echo '$(srcdir)/'`mgga_c_m08.c
libxc_la-mgga_c_cc06.lo: mgga_c_cc06.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_cc06.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_cc06.Tpo -c -o libxc_la-mgga_c_cc06.lo `test -f 'mgga_c_cc06.c' || echo '$(srcdir)/'`mgga_c_cc06.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_cc06.Tpo $(DEPDIR)/libxc_la-mgga_c_cc06.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_cc06.c' object='libxc_la-mgga_c_cc06.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_cc06.lo `test -f 'mgga_c_cc06.c' || echo '$(srcdir)/'`mgga_c_cc06.c
libxc_la-mgga_c_cs.lo: mgga_c_cs.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_cs.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_cs.Tpo -c -o libxc_la-mgga_c_cs.lo `test -f 'mgga_c_cs.c' || echo '$(srcdir)/'`mgga_c_cs.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_cs.Tpo $(DEPDIR)/libxc_la-mgga_c_cs.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_cs.c' object='libxc_la-mgga_c_cs.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_cs.lo `test -f 'mgga_c_cs.c' || echo '$(srcdir)/'`mgga_c_cs.c
libxc_la-mgga_xc_otpss_d.lo: mgga_xc_otpss_d.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_xc_otpss_d.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_xc_otpss_d.Tpo -c -o libxc_la-mgga_xc_otpss_d.lo `test -f 'mgga_xc_otpss_d.c' || echo '$(srcdir)/'`mgga_xc_otpss_d.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_xc_otpss_d.Tpo $(DEPDIR)/libxc_la-mgga_xc_otpss_d.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_xc_otpss_d.c' object='libxc_la-mgga_xc_otpss_d.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_xc_otpss_d.lo `test -f 'mgga_xc_otpss_d.c' || echo '$(srcdir)/'`mgga_xc_otpss_d.c
libxc_la-hyb_mgga_xc_m05.lo: hyb_mgga_xc_m05.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_mgga_xc_m05.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_mgga_xc_m05.Tpo -c -o libxc_la-hyb_mgga_xc_m05.lo `test -f 'hyb_mgga_xc_m05.c' || echo '$(srcdir)/'`hyb_mgga_xc_m05.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_mgga_xc_m05.Tpo $(DEPDIR)/libxc_la-hyb_mgga_xc_m05.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_mgga_xc_m05.c' object='libxc_la-hyb_mgga_xc_m05.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_mgga_xc_m05.lo `test -f 'hyb_mgga_xc_m05.c' || echo '$(srcdir)/'`hyb_mgga_xc_m05.c
libxc_la-hyb_mgga_xc_tpssh.lo: hyb_mgga_xc_tpssh.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_mgga_xc_tpssh.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh.Tpo -c -o libxc_la-hyb_mgga_xc_tpssh.lo `test -f 'hyb_mgga_xc_tpssh.c' || echo '$(srcdir)/'`hyb_mgga_xc_tpssh.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh.Tpo $(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_mgga_xc_tpssh.c' object='libxc_la-hyb_mgga_xc_tpssh.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_mgga_xc_tpssh.lo `test -f 'hyb_mgga_xc_tpssh.c' || echo '$(srcdir)/'`hyb_mgga_xc_tpssh.c
libxc_la-xc_f.lo: xc_f.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-xc_f.lo -MD -MP -MF $(DEPDIR)/libxc_la-xc_f.Tpo -c -o libxc_la-xc_f.lo `test -f 'xc_f.c' || echo '$(srcdir)/'`xc_f.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-xc_f.Tpo $(DEPDIR)/libxc_la-xc_f.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='xc_f.c' object='libxc_la-xc_f.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-xc_f.lo `test -f 'xc_f.c' || echo '$(srcdir)/'`xc_f.c
libxc_la-xc_f_s.lo: xc_f_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-xc_f_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-xc_f_s.Tpo -c -o libxc_la-xc_f_s.lo `test -f 'xc_f_s.c' || echo '$(srcdir)/'`xc_f_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-xc_f_s.Tpo $(DEPDIR)/libxc_la-xc_f_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='xc_f_s.c' object='libxc_la-xc_f_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-xc_f_s.lo `test -f 'xc_f_s.c' || echo '$(srcdir)/'`xc_f_s.c
libxc_la-special_functions_s.lo: special_functions_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-special_functions_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-special_functions_s.Tpo -c -o libxc_la-special_functions_s.lo `test -f 'special_functions_s.c' || echo '$(srcdir)/'`special_functions_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-special_functions_s.Tpo $(DEPDIR)/libxc_la-special_functions_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='special_functions_s.c' object='libxc_la-special_functions_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-special_functions_s.lo `test -f 'special_functions_s.c' || echo '$(srcdir)/'`special_functions_s.c
libxc_la-bessel_s.lo: bessel_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-bessel_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-bessel_s.Tpo -c -o libxc_la-bessel_s.lo `test -f 'bessel_s.c' || echo '$(srcdir)/'`bessel_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-bessel_s.Tpo $(DEPDIR)/libxc_la-bessel_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='bessel_s.c' object='libxc_la-bessel_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-bessel_s.lo `test -f 'bessel_s.c' || echo '$(srcdir)/'`bessel_s.c
libxc_la-expint_e1_s.lo: expint_e1_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-expint_e1_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-expint_e1_s.Tpo -c -o libxc_la-expint_e1_s.lo `test -f 'expint_e1_s.c' || echo '$(srcdir)/'`expint_e1_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-expint_e1_s.Tpo $(DEPDIR)/libxc_la-expint_e1_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='expint_e1_s.c' object='libxc_la-expint_e1_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-expint_e1_s.lo `test -f 'expint_e1_s.c' || echo '$(srcdir)/'`expint_e1_s.c
libxc_la-integrate_s.lo: integrate_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-integrate_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-integrate_s.Tpo -c -o libxc_la-integrate_s.lo `test -f 'integrate_s.c' || echo '$(srcdir)/'`integrate_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-integrate_s.Tpo $(DEPDIR)/libxc_la-integrate_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='integrate_s.c' object='libxc_la-integrate_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-integrate_s.lo `test -f 'integrate_s.c' || echo '$(srcdir)/'`integrate_s.c
libxc_la-util_s.lo: util_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-util_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-util_s.Tpo -c -o libxc_la-util_s.lo `test -f 'util_s.c' || echo '$(srcdir)/'`util_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-util_s.Tpo $(DEPDIR)/libxc_la-util_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='util_s.c' object='libxc_la-util_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-util_s.lo `test -f 'util_s.c' || echo '$(srcdir)/'`util_s.c
libxc_la-mix_func_s.lo: mix_func_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mix_func_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mix_func_s.Tpo -c -o libxc_la-mix_func_s.lo `test -f 'mix_func_s.c' || echo '$(srcdir)/'`mix_func_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mix_func_s.Tpo $(DEPDIR)/libxc_la-mix_func_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mix_func_s.c' object='libxc_la-mix_func_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mix_func_s.lo `test -f 'mix_func_s.c' || echo '$(srcdir)/'`mix_func_s.c
libxc_la-functionals_s.lo: functionals_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-functionals_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-functionals_s.Tpo -c -o libxc_la-functionals_s.lo `test -f 'functionals_s.c' || echo '$(srcdir)/'`functionals_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-functionals_s.Tpo $(DEPDIR)/libxc_la-functionals_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='functionals_s.c' object='libxc_la-functionals_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-functionals_s.lo `test -f 'functionals_s.c' || echo '$(srcdir)/'`functionals_s.c
libxc_la-version_s.lo: version_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-version_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-version_s.Tpo -c -o libxc_la-version_s.lo `test -f 'version_s.c' || echo '$(srcdir)/'`version_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-version_s.Tpo $(DEPDIR)/libxc_la-version_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='version_s.c' object='libxc_la-version_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-version_s.lo `test -f 'version_s.c' || echo '$(srcdir)/'`version_s.c
libxc_la-lda_s.lo: lda_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_s.Tpo -c -o libxc_la-lda_s.lo `test -f 'lda_s.c' || echo '$(srcdir)/'`lda_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_s.Tpo $(DEPDIR)/libxc_la-lda_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_s.c' object='libxc_la-lda_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_s.lo `test -f 'lda_s.c' || echo '$(srcdir)/'`lda_s.c
libxc_la-lda_x_s.lo: lda_x_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_x_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_x_s.Tpo -c -o libxc_la-lda_x_s.lo `test -f 'lda_x_s.c' || echo '$(srcdir)/'`lda_x_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_x_s.Tpo $(DEPDIR)/libxc_la-lda_x_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_x_s.c' object='libxc_la-lda_x_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_x_s.lo `test -f 'lda_x_s.c' || echo '$(srcdir)/'`lda_x_s.c
libxc_la-lda_x_1d_s.lo: lda_x_1d_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_x_1d_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_x_1d_s.Tpo -c -o libxc_la-lda_x_1d_s.lo `test -f 'lda_x_1d_s.c' || echo '$(srcdir)/'`lda_x_1d_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_x_1d_s.Tpo $(DEPDIR)/libxc_la-lda_x_1d_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_x_1d_s.c' object='libxc_la-lda_x_1d_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_x_1d_s.lo `test -f 'lda_x_1d_s.c' || echo '$(srcdir)/'`lda_x_1d_s.c
libxc_la-lda_x_2d_s.lo: lda_x_2d_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_x_2d_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_x_2d_s.Tpo -c -o libxc_la-lda_x_2d_s.lo `test -f 'lda_x_2d_s.c' || echo '$(srcdir)/'`lda_x_2d_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_x_2d_s.Tpo $(DEPDIR)/libxc_la-lda_x_2d_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_x_2d_s.c' object='libxc_la-lda_x_2d_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_x_2d_s.lo `test -f 'lda_x_2d_s.c' || echo '$(srcdir)/'`lda_x_2d_s.c
libxc_la-lda_c_wigner_s.lo: lda_c_wigner_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_wigner_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_wigner_s.Tpo -c -o libxc_la-lda_c_wigner_s.lo `test -f 'lda_c_wigner_s.c' || echo '$(srcdir)/'`lda_c_wigner_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_wigner_s.Tpo $(DEPDIR)/libxc_la-lda_c_wigner_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_wigner_s.c' object='libxc_la-lda_c_wigner_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_wigner_s.lo `test -f 'lda_c_wigner_s.c' || echo '$(srcdir)/'`lda_c_wigner_s.c
libxc_la-lda_c_gombas_s.lo: lda_c_gombas_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_gombas_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_gombas_s.Tpo -c -o libxc_la-lda_c_gombas_s.lo `test -f 'lda_c_gombas_s.c' || echo '$(srcdir)/'`lda_c_gombas_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_gombas_s.Tpo $(DEPDIR)/libxc_la-lda_c_gombas_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_gombas_s.c' object='libxc_la-lda_c_gombas_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_gombas_s.lo `test -f 'lda_c_gombas_s.c' || echo '$(srcdir)/'`lda_c_gombas_s.c
libxc_la-lda_c_rpa_s.lo: lda_c_rpa_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_rpa_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_rpa_s.Tpo -c -o libxc_la-lda_c_rpa_s.lo `test -f 'lda_c_rpa_s.c' || echo '$(srcdir)/'`lda_c_rpa_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_rpa_s.Tpo $(DEPDIR)/libxc_la-lda_c_rpa_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_rpa_s.c' object='libxc_la-lda_c_rpa_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_rpa_s.lo `test -f 'lda_c_rpa_s.c' || echo '$(srcdir)/'`lda_c_rpa_s.c
libxc_la-lda_c_hl_s.lo: lda_c_hl_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_hl_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_hl_s.Tpo -c -o libxc_la-lda_c_hl_s.lo `test -f 'lda_c_hl_s.c' || echo '$(srcdir)/'`lda_c_hl_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_hl_s.Tpo $(DEPDIR)/libxc_la-lda_c_hl_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_hl_s.c' object='libxc_la-lda_c_hl_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_hl_s.lo `test -f 'lda_c_hl_s.c' || echo '$(srcdir)/'`lda_c_hl_s.c
libxc_la-lda_c_vwn_s.lo: lda_c_vwn_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_vwn_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_vwn_s.Tpo -c -o libxc_la-lda_c_vwn_s.lo `test -f 'lda_c_vwn_s.c' || echo '$(srcdir)/'`lda_c_vwn_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_vwn_s.Tpo $(DEPDIR)/libxc_la-lda_c_vwn_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_vwn_s.c' object='libxc_la-lda_c_vwn_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_vwn_s.lo `test -f 'lda_c_vwn_s.c' || echo '$(srcdir)/'`lda_c_vwn_s.c
libxc_la-lda_c_pz_s.lo: lda_c_pz_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_pz_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_pz_s.Tpo -c -o libxc_la-lda_c_pz_s.lo `test -f 'lda_c_pz_s.c' || echo '$(srcdir)/'`lda_c_pz_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_pz_s.Tpo $(DEPDIR)/libxc_la-lda_c_pz_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_pz_s.c' object='libxc_la-lda_c_pz_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_pz_s.lo `test -f 'lda_c_pz_s.c' || echo '$(srcdir)/'`lda_c_pz_s.c
libxc_la-lda_c_pw_s.lo: lda_c_pw_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_pw_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_pw_s.Tpo -c -o libxc_la-lda_c_pw_s.lo `test -f 'lda_c_pw_s.c' || echo '$(srcdir)/'`lda_c_pw_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_pw_s.Tpo $(DEPDIR)/libxc_la-lda_c_pw_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_pw_s.c' object='libxc_la-lda_c_pw_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_pw_s.lo `test -f 'lda_c_pw_s.c' || echo '$(srcdir)/'`lda_c_pw_s.c
libxc_la-lda_c_ml1_s.lo: lda_c_ml1_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_ml1_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_ml1_s.Tpo -c -o libxc_la-lda_c_ml1_s.lo `test -f 'lda_c_ml1_s.c' || echo '$(srcdir)/'`lda_c_ml1_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_ml1_s.Tpo $(DEPDIR)/libxc_la-lda_c_ml1_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_ml1_s.c' object='libxc_la-lda_c_ml1_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_ml1_s.lo `test -f 'lda_c_ml1_s.c' || echo '$(srcdir)/'`lda_c_ml1_s.c
libxc_la-lda_c_rc04_s.lo: lda_c_rc04_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_rc04_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_rc04_s.Tpo -c -o libxc_la-lda_c_rc04_s.lo `test -f 'lda_c_rc04_s.c' || echo '$(srcdir)/'`lda_c_rc04_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_rc04_s.Tpo $(DEPDIR)/libxc_la-lda_c_rc04_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_rc04_s.c' object='libxc_la-lda_c_rc04_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_rc04_s.lo `test -f 'lda_c_rc04_s.c' || echo '$(srcdir)/'`lda_c_rc04_s.c
libxc_la-lda_xc_teter93_s.lo: lda_xc_teter93_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_xc_teter93_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_xc_teter93_s.Tpo -c -o libxc_la-lda_xc_teter93_s.lo `test -f 'lda_xc_teter93_s.c' || echo '$(srcdir)/'`lda_xc_teter93_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_xc_teter93_s.Tpo $(DEPDIR)/libxc_la-lda_xc_teter93_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_xc_teter93_s.c' object='libxc_la-lda_xc_teter93_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_xc_teter93_s.lo `test -f 'lda_xc_teter93_s.c' || echo '$(srcdir)/'`lda_xc_teter93_s.c
libxc_la-lda_c_1d_csc_s.lo: lda_c_1d_csc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_1d_csc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_1d_csc_s.Tpo -c -o libxc_la-lda_c_1d_csc_s.lo `test -f 'lda_c_1d_csc_s.c' || echo '$(srcdir)/'`lda_c_1d_csc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_1d_csc_s.Tpo $(DEPDIR)/libxc_la-lda_c_1d_csc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_1d_csc_s.c' object='libxc_la-lda_c_1d_csc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_1d_csc_s.lo `test -f 'lda_c_1d_csc_s.c' || echo '$(srcdir)/'`lda_c_1d_csc_s.c
libxc_la-lda_c_1d_loos_s.lo: lda_c_1d_loos_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_1d_loos_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_1d_loos_s.Tpo -c -o libxc_la-lda_c_1d_loos_s.lo `test -f 'lda_c_1d_loos_s.c' || echo '$(srcdir)/'`lda_c_1d_loos_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_1d_loos_s.Tpo $(DEPDIR)/libxc_la-lda_c_1d_loos_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_1d_loos_s.c' object='libxc_la-lda_c_1d_loos_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_1d_loos_s.lo `test -f 'lda_c_1d_loos_s.c' || echo '$(srcdir)/'`lda_c_1d_loos_s.c
libxc_la-lda_c_2d_amgb_s.lo: lda_c_2d_amgb_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_2d_amgb_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_2d_amgb_s.Tpo -c -o libxc_la-lda_c_2d_amgb_s.lo `test -f 'lda_c_2d_amgb_s.c' || echo '$(srcdir)/'`lda_c_2d_amgb_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_2d_amgb_s.Tpo $(DEPDIR)/libxc_la-lda_c_2d_amgb_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_2d_amgb_s.c' object='libxc_la-lda_c_2d_amgb_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_2d_amgb_s.lo `test -f 'lda_c_2d_amgb_s.c' || echo '$(srcdir)/'`lda_c_2d_amgb_s.c
libxc_la-lda_c_2d_prm_s.lo: lda_c_2d_prm_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_c_2d_prm_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_c_2d_prm_s.Tpo -c -o libxc_la-lda_c_2d_prm_s.lo `test -f 'lda_c_2d_prm_s.c' || echo '$(srcdir)/'`lda_c_2d_prm_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_c_2d_prm_s.Tpo $(DEPDIR)/libxc_la-lda_c_2d_prm_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_c_2d_prm_s.c' object='libxc_la-lda_c_2d_prm_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_c_2d_prm_s.lo `test -f 'lda_c_2d_prm_s.c' || echo '$(srcdir)/'`lda_c_2d_prm_s.c
libxc_la-stoll_s.lo: stoll_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-stoll_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-stoll_s.Tpo -c -o libxc_la-stoll_s.lo `test -f 'stoll_s.c' || echo '$(srcdir)/'`stoll_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-stoll_s.Tpo $(DEPDIR)/libxc_la-stoll_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='stoll_s.c' object='libxc_la-stoll_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-stoll_s.lo `test -f 'stoll_s.c' || echo '$(srcdir)/'`stoll_s.c
libxc_la-lda_k_tf_s.lo: lda_k_tf_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-lda_k_tf_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-lda_k_tf_s.Tpo -c -o libxc_la-lda_k_tf_s.lo `test -f 'lda_k_tf_s.c' || echo '$(srcdir)/'`lda_k_tf_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-lda_k_tf_s.Tpo $(DEPDIR)/libxc_la-lda_k_tf_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='lda_k_tf_s.c' object='libxc_la-lda_k_tf_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-lda_k_tf_s.lo `test -f 'lda_k_tf_s.c' || echo '$(srcdir)/'`lda_k_tf_s.c
libxc_la-gga_s.lo: gga_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_s.Tpo -c -o libxc_la-gga_s.lo `test -f 'gga_s.c' || echo '$(srcdir)/'`gga_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_s.Tpo $(DEPDIR)/libxc_la-gga_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_s.c' object='libxc_la-gga_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_s.lo `test -f 'gga_s.c' || echo '$(srcdir)/'`gga_s.c
libxc_la-gga_x_lg93_s.lo: gga_x_lg93_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_lg93_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_lg93_s.Tpo -c -o libxc_la-gga_x_lg93_s.lo `test -f 'gga_x_lg93_s.c' || echo '$(srcdir)/'`gga_x_lg93_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_lg93_s.Tpo $(DEPDIR)/libxc_la-gga_x_lg93_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_lg93_s.c' object='libxc_la-gga_x_lg93_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_lg93_s.lo `test -f 'gga_x_lg93_s.c' || echo '$(srcdir)/'`gga_x_lg93_s.c
libxc_la-gga_x_pbe_s.lo: gga_x_pbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pbe_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pbe_s.Tpo -c -o libxc_la-gga_x_pbe_s.lo `test -f 'gga_x_pbe_s.c' || echo '$(srcdir)/'`gga_x_pbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pbe_s.Tpo $(DEPDIR)/libxc_la-gga_x_pbe_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pbe_s.c' object='libxc_la-gga_x_pbe_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pbe_s.lo `test -f 'gga_x_pbe_s.c' || echo '$(srcdir)/'`gga_x_pbe_s.c
libxc_la-gga_x_rpbe_s.lo: gga_x_rpbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_rpbe_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_rpbe_s.Tpo -c -o libxc_la-gga_x_rpbe_s.lo `test -f 'gga_x_rpbe_s.c' || echo '$(srcdir)/'`gga_x_rpbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_rpbe_s.Tpo $(DEPDIR)/libxc_la-gga_x_rpbe_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_rpbe_s.c' object='libxc_la-gga_x_rpbe_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_rpbe_s.lo `test -f 'gga_x_rpbe_s.c' || echo '$(srcdir)/'`gga_x_rpbe_s.c
libxc_la-gga_x_pbea_s.lo: gga_x_pbea_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pbea_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pbea_s.Tpo -c -o libxc_la-gga_x_pbea_s.lo `test -f 'gga_x_pbea_s.c' || echo '$(srcdir)/'`gga_x_pbea_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pbea_s.Tpo $(DEPDIR)/libxc_la-gga_x_pbea_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pbea_s.c' object='libxc_la-gga_x_pbea_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pbea_s.lo `test -f 'gga_x_pbea_s.c' || echo '$(srcdir)/'`gga_x_pbea_s.c
libxc_la-gga_x_mpbe_s.lo: gga_x_mpbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_mpbe_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_mpbe_s.Tpo -c -o libxc_la-gga_x_mpbe_s.lo `test -f 'gga_x_mpbe_s.c' || echo '$(srcdir)/'`gga_x_mpbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_mpbe_s.Tpo $(DEPDIR)/libxc_la-gga_x_mpbe_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_mpbe_s.c' object='libxc_la-gga_x_mpbe_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_mpbe_s.lo `test -f 'gga_x_mpbe_s.c' || echo '$(srcdir)/'`gga_x_mpbe_s.c
libxc_la-gga_x_herman_s.lo: gga_x_herman_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_herman_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_herman_s.Tpo -c -o libxc_la-gga_x_herman_s.lo `test -f 'gga_x_herman_s.c' || echo '$(srcdir)/'`gga_x_herman_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_herman_s.Tpo $(DEPDIR)/libxc_la-gga_x_herman_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_herman_s.c' object='libxc_la-gga_x_herman_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_herman_s.lo `test -f 'gga_x_herman_s.c' || echo '$(srcdir)/'`gga_x_herman_s.c
libxc_la-gga_x_b86_s.lo: gga_x_b86_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_b86_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_b86_s.Tpo -c -o libxc_la-gga_x_b86_s.lo `test -f 'gga_x_b86_s.c' || echo '$(srcdir)/'`gga_x_b86_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_b86_s.Tpo $(DEPDIR)/libxc_la-gga_x_b86_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_b86_s.c' object='libxc_la-gga_x_b86_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_b86_s.lo `test -f 'gga_x_b86_s.c' || echo '$(srcdir)/'`gga_x_b86_s.c
libxc_la-gga_x_b86_mgc_s.lo: gga_x_b86_mgc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_b86_mgc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_b86_mgc_s.Tpo -c -o libxc_la-gga_x_b86_mgc_s.lo `test -f 'gga_x_b86_mgc_s.c' || echo '$(srcdir)/'`gga_x_b86_mgc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_b86_mgc_s.Tpo $(DEPDIR)/libxc_la-gga_x_b86_mgc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_b86_mgc_s.c' object='libxc_la-gga_x_b86_mgc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_b86_mgc_s.lo `test -f 'gga_x_b86_mgc_s.c' || echo '$(srcdir)/'`gga_x_b86_mgc_s.c
libxc_la-gga_x_b88_s.lo: gga_x_b88_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_b88_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_b88_s.Tpo -c -o libxc_la-gga_x_b88_s.lo `test -f 'gga_x_b88_s.c' || echo '$(srcdir)/'`gga_x_b88_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_b88_s.Tpo $(DEPDIR)/libxc_la-gga_x_b88_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_b88_s.c' object='libxc_la-gga_x_b88_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_b88_s.lo `test -f 'gga_x_b88_s.c' || echo '$(srcdir)/'`gga_x_b88_s.c
libxc_la-gga_x_g96_s.lo: gga_x_g96_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_g96_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_g96_s.Tpo -c -o libxc_la-gga_x_g96_s.lo `test -f 'gga_x_g96_s.c' || echo '$(srcdir)/'`gga_x_g96_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_g96_s.Tpo $(DEPDIR)/libxc_la-gga_x_g96_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_g96_s.c' object='libxc_la-gga_x_g96_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_g96_s.lo `test -f 'gga_x_g96_s.c' || echo '$(srcdir)/'`gga_x_g96_s.c
libxc_la-gga_x_pw86_s.lo: gga_x_pw86_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pw86_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pw86_s.Tpo -c -o libxc_la-gga_x_pw86_s.lo `test -f 'gga_x_pw86_s.c' || echo '$(srcdir)/'`gga_x_pw86_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pw86_s.Tpo $(DEPDIR)/libxc_la-gga_x_pw86_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pw86_s.c' object='libxc_la-gga_x_pw86_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pw86_s.lo `test -f 'gga_x_pw86_s.c' || echo '$(srcdir)/'`gga_x_pw86_s.c
libxc_la-gga_x_pw91_s.lo: gga_x_pw91_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_pw91_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_pw91_s.Tpo -c -o libxc_la-gga_x_pw91_s.lo `test -f 'gga_x_pw91_s.c' || echo '$(srcdir)/'`gga_x_pw91_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_pw91_s.Tpo $(DEPDIR)/libxc_la-gga_x_pw91_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_pw91_s.c' object='libxc_la-gga_x_pw91_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_pw91_s.lo `test -f 'gga_x_pw91_s.c' || echo '$(srcdir)/'`gga_x_pw91_s.c
libxc_la-gga_x_optx_s.lo: gga_x_optx_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_optx_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_optx_s.Tpo -c -o libxc_la-gga_x_optx_s.lo `test -f 'gga_x_optx_s.c' || echo '$(srcdir)/'`gga_x_optx_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_optx_s.Tpo $(DEPDIR)/libxc_la-gga_x_optx_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_optx_s.c' object='libxc_la-gga_x_optx_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_optx_s.lo `test -f 'gga_x_optx_s.c' || echo '$(srcdir)/'`gga_x_optx_s.c
libxc_la-gga_x_airy_s.lo: gga_x_airy_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_airy_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_airy_s.Tpo -c -o libxc_la-gga_x_airy_s.lo `test -f 'gga_x_airy_s.c' || echo '$(srcdir)/'`gga_x_airy_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_airy_s.Tpo $(DEPDIR)/libxc_la-gga_x_airy_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_airy_s.c' object='libxc_la-gga_x_airy_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_airy_s.lo `test -f 'gga_x_airy_s.c' || echo '$(srcdir)/'`gga_x_airy_s.c
libxc_la-gga_x_c09x_s.lo: gga_x_c09x_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_c09x_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_c09x_s.Tpo -c -o libxc_la-gga_x_c09x_s.lo `test -f 'gga_x_c09x_s.c' || echo '$(srcdir)/'`gga_x_c09x_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_c09x_s.Tpo $(DEPDIR)/libxc_la-gga_x_c09x_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_c09x_s.c' object='libxc_la-gga_x_c09x_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_c09x_s.lo `test -f 'gga_x_c09x_s.c' || echo '$(srcdir)/'`gga_x_c09x_s.c
libxc_la-gga_x_dk87_s.lo: gga_x_dk87_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_dk87_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_dk87_s.Tpo -c -o libxc_la-gga_x_dk87_s.lo `test -f 'gga_x_dk87_s.c' || echo '$(srcdir)/'`gga_x_dk87_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_dk87_s.Tpo $(DEPDIR)/libxc_la-gga_x_dk87_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_dk87_s.c' object='libxc_la-gga_x_dk87_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_dk87_s.lo `test -f 'gga_x_dk87_s.c' || echo '$(srcdir)/'`gga_x_dk87_s.c
libxc_la-gga_x_ft97_s.lo: gga_x_ft97_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ft97_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ft97_s.Tpo -c -o libxc_la-gga_x_ft97_s.lo `test -f 'gga_x_ft97_s.c' || echo '$(srcdir)/'`gga_x_ft97_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ft97_s.Tpo $(DEPDIR)/libxc_la-gga_x_ft97_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ft97_s.c' object='libxc_la-gga_x_ft97_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ft97_s.lo `test -f 'gga_x_ft97_s.c' || echo '$(srcdir)/'`gga_x_ft97_s.c
libxc_la-gga_x_wc_s.lo: gga_x_wc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_wc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_wc_s.Tpo -c -o libxc_la-gga_x_wc_s.lo `test -f 'gga_x_wc_s.c' || echo '$(srcdir)/'`gga_x_wc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_wc_s.Tpo $(DEPDIR)/libxc_la-gga_x_wc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_wc_s.c' object='libxc_la-gga_x_wc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_wc_s.lo `test -f 'gga_x_wc_s.c' || echo '$(srcdir)/'`gga_x_wc_s.c
libxc_la-gga_x_am05_s.lo: gga_x_am05_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_am05_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_am05_s.Tpo -c -o libxc_la-gga_x_am05_s.lo `test -f 'gga_x_am05_s.c' || echo '$(srcdir)/'`gga_x_am05_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_am05_s.Tpo $(DEPDIR)/libxc_la-gga_x_am05_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_am05_s.c' object='libxc_la-gga_x_am05_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_am05_s.lo `test -f 'gga_x_am05_s.c' || echo '$(srcdir)/'`gga_x_am05_s.c
libxc_la-gga_x_bayesian_s.lo: gga_x_bayesian_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_bayesian_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_bayesian_s.Tpo -c -o libxc_la-gga_x_bayesian_s.lo `test -f 'gga_x_bayesian_s.c' || echo '$(srcdir)/'`gga_x_bayesian_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_bayesian_s.Tpo $(DEPDIR)/libxc_la-gga_x_bayesian_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_bayesian_s.c' object='libxc_la-gga_x_bayesian_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_bayesian_s.lo `test -f 'gga_x_bayesian_s.c' || echo '$(srcdir)/'`gga_x_bayesian_s.c
libxc_la-gga_x_kt_s.lo: gga_x_kt_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_kt_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_kt_s.Tpo -c -o libxc_la-gga_x_kt_s.lo `test -f 'gga_x_kt_s.c' || echo '$(srcdir)/'`gga_x_kt_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_kt_s.Tpo $(DEPDIR)/libxc_la-gga_x_kt_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_kt_s.c' object='libxc_la-gga_x_kt_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_kt_s.lo `test -f 'gga_x_kt_s.c' || echo '$(srcdir)/'`gga_x_kt_s.c
libxc_la-gga_x_htbs_s.lo: gga_x_htbs_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_htbs_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_htbs_s.Tpo -c -o libxc_la-gga_x_htbs_s.lo `test -f 'gga_x_htbs_s.c' || echo '$(srcdir)/'`gga_x_htbs_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_htbs_s.Tpo $(DEPDIR)/libxc_la-gga_x_htbs_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_htbs_s.c' object='libxc_la-gga_x_htbs_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_htbs_s.lo `test -f 'gga_x_htbs_s.c' || echo '$(srcdir)/'`gga_x_htbs_s.c
libxc_la-gga_c_pbe_s.lo: gga_c_pbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_pbe_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_pbe_s.Tpo -c -o libxc_la-gga_c_pbe_s.lo `test -f 'gga_c_pbe_s.c' || echo '$(srcdir)/'`gga_c_pbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_pbe_s.Tpo $(DEPDIR)/libxc_la-gga_c_pbe_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_pbe_s.c' object='libxc_la-gga_c_pbe_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_pbe_s.lo `test -f 'gga_c_pbe_s.c' || echo '$(srcdir)/'`gga_c_pbe_s.c
libxc_la-gga_c_lyp_s.lo: gga_c_lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_lyp_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_lyp_s.Tpo -c -o libxc_la-gga_c_lyp_s.lo `test -f 'gga_c_lyp_s.c' || echo '$(srcdir)/'`gga_c_lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_lyp_s.Tpo $(DEPDIR)/libxc_la-gga_c_lyp_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_lyp_s.c' object='libxc_la-gga_c_lyp_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_lyp_s.lo `test -f 'gga_c_lyp_s.c' || echo '$(srcdir)/'`gga_c_lyp_s.c
libxc_la-gga_c_p86_s.lo: gga_c_p86_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_p86_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_p86_s.Tpo -c -o libxc_la-gga_c_p86_s.lo `test -f 'gga_c_p86_s.c' || echo '$(srcdir)/'`gga_c_p86_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_p86_s.Tpo $(DEPDIR)/libxc_la-gga_c_p86_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_p86_s.c' object='libxc_la-gga_c_p86_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_p86_s.lo `test -f 'gga_c_p86_s.c' || echo '$(srcdir)/'`gga_c_p86_s.c
libxc_la-gga_c_pw91_s.lo: gga_c_pw91_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_pw91_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_pw91_s.Tpo -c -o libxc_la-gga_c_pw91_s.lo `test -f 'gga_c_pw91_s.c' || echo '$(srcdir)/'`gga_c_pw91_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_pw91_s.Tpo $(DEPDIR)/libxc_la-gga_c_pw91_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_pw91_s.c' object='libxc_la-gga_c_pw91_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_pw91_s.lo `test -f 'gga_c_pw91_s.c' || echo '$(srcdir)/'`gga_c_pw91_s.c
libxc_la-gga_c_am05_s.lo: gga_c_am05_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_am05_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_am05_s.Tpo -c -o libxc_la-gga_c_am05_s.lo `test -f 'gga_c_am05_s.c' || echo '$(srcdir)/'`gga_c_am05_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_am05_s.Tpo $(DEPDIR)/libxc_la-gga_c_am05_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_am05_s.c' object='libxc_la-gga_c_am05_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_am05_s.lo `test -f 'gga_c_am05_s.c' || echo '$(srcdir)/'`gga_c_am05_s.c
libxc_la-gga_c_lm_s.lo: gga_c_lm_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_lm_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_lm_s.Tpo -c -o libxc_la-gga_c_lm_s.lo `test -f 'gga_c_lm_s.c' || echo '$(srcdir)/'`gga_c_lm_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_lm_s.Tpo $(DEPDIR)/libxc_la-gga_c_lm_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_lm_s.c' object='libxc_la-gga_c_lm_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_lm_s.lo `test -f 'gga_c_lm_s.c' || echo '$(srcdir)/'`gga_c_lm_s.c
libxc_la-gga_c_wl_s.lo: gga_c_wl_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_wl_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_wl_s.Tpo -c -o libxc_la-gga_c_wl_s.lo `test -f 'gga_c_wl_s.c' || echo '$(srcdir)/'`gga_c_wl_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_wl_s.Tpo $(DEPDIR)/libxc_la-gga_c_wl_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_wl_s.c' object='libxc_la-gga_c_wl_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_wl_s.lo `test -f 'gga_c_wl_s.c' || echo '$(srcdir)/'`gga_c_wl_s.c
libxc_la-gga_c_wi_s.lo: gga_c_wi_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_wi_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_wi_s.Tpo -c -o libxc_la-gga_c_wi_s.lo `test -f 'gga_c_wi_s.c' || echo '$(srcdir)/'`gga_c_wi_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_wi_s.Tpo $(DEPDIR)/libxc_la-gga_c_wi_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_wi_s.c' object='libxc_la-gga_c_wi_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_wi_s.lo `test -f 'gga_c_wi_s.c' || echo '$(srcdir)/'`gga_c_wi_s.c
libxc_la-gga_x_lb_s.lo: gga_x_lb_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_lb_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_lb_s.Tpo -c -o libxc_la-gga_x_lb_s.lo `test -f 'gga_x_lb_s.c' || echo '$(srcdir)/'`gga_x_lb_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_lb_s.Tpo $(DEPDIR)/libxc_la-gga_x_lb_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_lb_s.c' object='libxc_la-gga_x_lb_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_lb_s.lo `test -f 'gga_x_lb_s.c' || echo '$(srcdir)/'`gga_x_lb_s.c
libxc_la-gga_xc_b97_s.lo: gga_xc_b97_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_b97_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_b97_s.Tpo -c -o libxc_la-gga_xc_b97_s.lo `test -f 'gga_xc_b97_s.c' || echo '$(srcdir)/'`gga_xc_b97_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_b97_s.Tpo $(DEPDIR)/libxc_la-gga_xc_b97_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_b97_s.c' object='libxc_la-gga_xc_b97_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_b97_s.lo `test -f 'gga_xc_b97_s.c' || echo '$(srcdir)/'`gga_xc_b97_s.c
libxc_la-gga_xc_edf1_s.lo: gga_xc_edf1_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_edf1_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_edf1_s.Tpo -c -o libxc_la-gga_xc_edf1_s.lo `test -f 'gga_xc_edf1_s.c' || echo '$(srcdir)/'`gga_xc_edf1_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_edf1_s.Tpo $(DEPDIR)/libxc_la-gga_xc_edf1_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_edf1_s.c' object='libxc_la-gga_xc_edf1_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_edf1_s.lo `test -f 'gga_xc_edf1_s.c' || echo '$(srcdir)/'`gga_xc_edf1_s.c
libxc_la-gga_xc_1w_s.lo: gga_xc_1w_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_1w_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_1w_s.Tpo -c -o libxc_la-gga_xc_1w_s.lo `test -f 'gga_xc_1w_s.c' || echo '$(srcdir)/'`gga_xc_1w_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_1w_s.Tpo $(DEPDIR)/libxc_la-gga_xc_1w_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_1w_s.c' object='libxc_la-gga_xc_1w_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_1w_s.lo `test -f 'gga_xc_1w_s.c' || echo '$(srcdir)/'`gga_xc_1w_s.c
libxc_la-gga_c_optc_s.lo: gga_c_optc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_optc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_optc_s.Tpo -c -o libxc_la-gga_c_optc_s.lo `test -f 'gga_c_optc_s.c' || echo '$(srcdir)/'`gga_c_optc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_optc_s.Tpo $(DEPDIR)/libxc_la-gga_c_optc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_optc_s.c' object='libxc_la-gga_c_optc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_optc_s.lo `test -f 'gga_c_optc_s.c' || echo '$(srcdir)/'`gga_c_optc_s.c
libxc_la-gga_c_tca_s.lo: gga_c_tca_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_tca_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_tca_s.Tpo -c -o libxc_la-gga_c_tca_s.lo `test -f 'gga_c_tca_s.c' || echo '$(srcdir)/'`gga_c_tca_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_tca_s.Tpo $(DEPDIR)/libxc_la-gga_c_tca_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_tca_s.c' object='libxc_la-gga_c_tca_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_tca_s.lo `test -f 'gga_c_tca_s.c' || echo '$(srcdir)/'`gga_c_tca_s.c
libxc_la-gga_x_bpccac_s.lo: gga_x_bpccac_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_bpccac_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_bpccac_s.Tpo -c -o libxc_la-gga_x_bpccac_s.lo `test -f 'gga_x_bpccac_s.c' || echo '$(srcdir)/'`gga_x_bpccac_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_bpccac_s.Tpo $(DEPDIR)/libxc_la-gga_x_bpccac_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_bpccac_s.c' object='libxc_la-gga_x_bpccac_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_bpccac_s.lo `test -f 'gga_x_bpccac_s.c' || echo '$(srcdir)/'`gga_x_bpccac_s.c
libxc_la-gga_x_sogga11_s.lo: gga_x_sogga11_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_sogga11_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_sogga11_s.Tpo -c -o libxc_la-gga_x_sogga11_s.lo `test -f 'gga_x_sogga11_s.c' || echo '$(srcdir)/'`gga_x_sogga11_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_sogga11_s.Tpo $(DEPDIR)/libxc_la-gga_x_sogga11_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_sogga11_s.c' object='libxc_la-gga_x_sogga11_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_sogga11_s.lo `test -f 'gga_x_sogga11_s.c' || echo '$(srcdir)/'`gga_x_sogga11_s.c
libxc_la-gga_c_sogga11_s.lo: gga_c_sogga11_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_sogga11_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_sogga11_s.Tpo -c -o libxc_la-gga_c_sogga11_s.lo `test -f 'gga_c_sogga11_s.c' || echo '$(srcdir)/'`gga_c_sogga11_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_sogga11_s.Tpo $(DEPDIR)/libxc_la-gga_c_sogga11_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_sogga11_s.c' object='libxc_la-gga_c_sogga11_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_sogga11_s.lo `test -f 'gga_c_sogga11_s.c' || echo '$(srcdir)/'`gga_c_sogga11_s.c
libxc_la-gga_xc_th_s.lo: gga_xc_th_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_th_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_th_s.Tpo -c -o libxc_la-gga_xc_th_s.lo `test -f 'gga_xc_th_s.c' || echo '$(srcdir)/'`gga_xc_th_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_th_s.Tpo $(DEPDIR)/libxc_la-gga_xc_th_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_th_s.c' object='libxc_la-gga_xc_th_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_th_s.lo `test -f 'gga_xc_th_s.c' || echo '$(srcdir)/'`gga_xc_th_s.c
libxc_la-gga_x_wpbeh_s.lo: gga_x_wpbeh_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_wpbeh_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_wpbeh_s.Tpo -c -o libxc_la-gga_x_wpbeh_s.lo `test -f 'gga_x_wpbeh_s.c' || echo '$(srcdir)/'`gga_x_wpbeh_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_wpbeh_s.Tpo $(DEPDIR)/libxc_la-gga_x_wpbeh_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_wpbeh_s.c' object='libxc_la-gga_x_wpbeh_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_wpbeh_s.lo `test -f 'gga_x_wpbeh_s.c' || echo '$(srcdir)/'`gga_x_wpbeh_s.c
libxc_la-gga_x_hjs_s.lo: gga_x_hjs_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_hjs_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_hjs_s.Tpo -c -o libxc_la-gga_x_hjs_s.lo `test -f 'gga_x_hjs_s.c' || echo '$(srcdir)/'`gga_x_hjs_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_hjs_s.Tpo $(DEPDIR)/libxc_la-gga_x_hjs_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_hjs_s.c' object='libxc_la-gga_x_hjs_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_hjs_s.lo `test -f 'gga_x_hjs_s.c' || echo '$(srcdir)/'`gga_x_hjs_s.c
libxc_la-gga_x_ityh_s.lo: gga_x_ityh_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ityh_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ityh_s.Tpo -c -o libxc_la-gga_x_ityh_s.lo `test -f 'gga_x_ityh_s.c' || echo '$(srcdir)/'`gga_x_ityh_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ityh_s.Tpo $(DEPDIR)/libxc_la-gga_x_ityh_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ityh_s.c' object='libxc_la-gga_x_ityh_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ityh_s.lo `test -f 'gga_x_ityh_s.c' || echo '$(srcdir)/'`gga_x_ityh_s.c
libxc_la-gga_x_sfat_s.lo: gga_x_sfat_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_sfat_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_sfat_s.Tpo -c -o libxc_la-gga_x_sfat_s.lo `test -f 'gga_x_sfat_s.c' || echo '$(srcdir)/'`gga_x_sfat_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_sfat_s.Tpo $(DEPDIR)/libxc_la-gga_x_sfat_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_sfat_s.c' object='libxc_la-gga_x_sfat_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_sfat_s.lo `test -f 'gga_x_sfat_s.c' || echo '$(srcdir)/'`gga_x_sfat_s.c
libxc_la-gga_x_ak13_s.lo: gga_x_ak13_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ak13_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ak13_s.Tpo -c -o libxc_la-gga_x_ak13_s.lo `test -f 'gga_x_ak13_s.c' || echo '$(srcdir)/'`gga_x_ak13_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ak13_s.Tpo $(DEPDIR)/libxc_la-gga_x_ak13_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ak13_s.c' object='libxc_la-gga_x_ak13_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ak13_s.lo `test -f 'gga_x_ak13_s.c' || echo '$(srcdir)/'`gga_x_ak13_s.c
libxc_la-gga_x_q2d_s.lo: gga_x_q2d_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_q2d_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_q2d_s.Tpo -c -o libxc_la-gga_x_q2d_s.lo `test -f 'gga_x_q2d_s.c' || echo '$(srcdir)/'`gga_x_q2d_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_q2d_s.Tpo $(DEPDIR)/libxc_la-gga_x_q2d_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_q2d_s.c' object='libxc_la-gga_x_q2d_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_q2d_s.lo `test -f 'gga_x_q2d_s.c' || echo '$(srcdir)/'`gga_x_q2d_s.c
libxc_la-gga_c_q2d_s.lo: gga_c_q2d_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_q2d_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_q2d_s.Tpo -c -o libxc_la-gga_c_q2d_s.lo `test -f 'gga_c_q2d_s.c' || echo '$(srcdir)/'`gga_c_q2d_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_q2d_s.Tpo $(DEPDIR)/libxc_la-gga_c_q2d_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_q2d_s.c' object='libxc_la-gga_c_q2d_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_q2d_s.lo `test -f 'gga_c_q2d_s.c' || echo '$(srcdir)/'`gga_c_q2d_s.c
libxc_la-gga_x_ssb_sw_s.lo: gga_x_ssb_sw_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_ssb_sw_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_ssb_sw_s.Tpo -c -o libxc_la-gga_x_ssb_sw_s.lo `test -f 'gga_x_ssb_sw_s.c' || echo '$(srcdir)/'`gga_x_ssb_sw_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_ssb_sw_s.Tpo $(DEPDIR)/libxc_la-gga_x_ssb_sw_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_ssb_sw_s.c' object='libxc_la-gga_x_ssb_sw_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_ssb_sw_s.lo `test -f 'gga_x_ssb_sw_s.c' || echo '$(srcdir)/'`gga_x_ssb_sw_s.c
libxc_la-gga_c_ft97_s.lo: gga_c_ft97_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_ft97_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_ft97_s.Tpo -c -o libxc_la-gga_c_ft97_s.lo `test -f 'gga_c_ft97_s.c' || echo '$(srcdir)/'`gga_c_ft97_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_ft97_s.Tpo $(DEPDIR)/libxc_la-gga_c_ft97_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_ft97_s.c' object='libxc_la-gga_c_ft97_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_ft97_s.lo `test -f 'gga_c_ft97_s.c' || echo '$(srcdir)/'`gga_c_ft97_s.c
libxc_la-gga_c_op_s.lo: gga_c_op_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_c_op_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_c_op_s.Tpo -c -o libxc_la-gga_c_op_s.lo `test -f 'gga_c_op_s.c' || echo '$(srcdir)/'`gga_c_op_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_c_op_s.Tpo $(DEPDIR)/libxc_la-gga_c_op_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_c_op_s.c' object='libxc_la-gga_c_op_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_c_op_s.lo `test -f 'gga_c_op_s.c' || echo '$(srcdir)/'`gga_c_op_s.c
libxc_la-gga_x_n12_s.lo: gga_x_n12_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_n12_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_n12_s.Tpo -c -o libxc_la-gga_x_n12_s.lo `test -f 'gga_x_n12_s.c' || echo '$(srcdir)/'`gga_x_n12_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_n12_s.Tpo $(DEPDIR)/libxc_la-gga_x_n12_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_n12_s.c' object='libxc_la-gga_x_n12_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_n12_s.lo `test -f 'gga_x_n12_s.c' || echo '$(srcdir)/'`gga_x_n12_s.c
libxc_la-gga_x_lv_rpw86_s.lo: gga_x_lv_rpw86_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_lv_rpw86_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_lv_rpw86_s.Tpo -c -o libxc_la-gga_x_lv_rpw86_s.lo `test -f 'gga_x_lv_rpw86_s.c' || echo '$(srcdir)/'`gga_x_lv_rpw86_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_lv_rpw86_s.Tpo $(DEPDIR)/libxc_la-gga_x_lv_rpw86_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_lv_rpw86_s.c' object='libxc_la-gga_x_lv_rpw86_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_lv_rpw86_s.lo `test -f 'gga_x_lv_rpw86_s.c' || echo '$(srcdir)/'`gga_x_lv_rpw86_s.c
libxc_la-gga_x_2d_b86_s.lo: gga_x_2d_b86_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_b86_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_b86_s.Tpo -c -o libxc_la-gga_x_2d_b86_s.lo `test -f 'gga_x_2d_b86_s.c' || echo '$(srcdir)/'`gga_x_2d_b86_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_b86_s.Tpo $(DEPDIR)/libxc_la-gga_x_2d_b86_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_b86_s.c' object='libxc_la-gga_x_2d_b86_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_b86_s.lo `test -f 'gga_x_2d_b86_s.c' || echo '$(srcdir)/'`gga_x_2d_b86_s.c
libxc_la-gga_x_2d_b86_mgc_s.lo: gga_x_2d_b86_mgc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_b86_mgc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_b86_mgc_s.Tpo -c -o libxc_la-gga_x_2d_b86_mgc_s.lo `test -f 'gga_x_2d_b86_mgc_s.c' || echo '$(srcdir)/'`gga_x_2d_b86_mgc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_b86_mgc_s.Tpo $(DEPDIR)/libxc_la-gga_x_2d_b86_mgc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_b86_mgc_s.c' object='libxc_la-gga_x_2d_b86_mgc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_b86_mgc_s.lo `test -f 'gga_x_2d_b86_mgc_s.c' || echo '$(srcdir)/'`gga_x_2d_b86_mgc_s.c
libxc_la-gga_x_2d_b88_s.lo: gga_x_2d_b88_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_b88_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_b88_s.Tpo -c -o libxc_la-gga_x_2d_b88_s.lo `test -f 'gga_x_2d_b88_s.c' || echo '$(srcdir)/'`gga_x_2d_b88_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_b88_s.Tpo $(DEPDIR)/libxc_la-gga_x_2d_b88_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_b88_s.c' object='libxc_la-gga_x_2d_b88_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_b88_s.lo `test -f 'gga_x_2d_b88_s.c' || echo '$(srcdir)/'`gga_x_2d_b88_s.c
libxc_la-gga_x_2d_pbe_s.lo: gga_x_2d_pbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_2d_pbe_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_2d_pbe_s.Tpo -c -o libxc_la-gga_x_2d_pbe_s.lo `test -f 'gga_x_2d_pbe_s.c' || echo '$(srcdir)/'`gga_x_2d_pbe_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_2d_pbe_s.Tpo $(DEPDIR)/libxc_la-gga_x_2d_pbe_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_2d_pbe_s.c' object='libxc_la-gga_x_2d_pbe_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_2d_pbe_s.lo `test -f 'gga_x_2d_pbe_s.c' || echo '$(srcdir)/'`gga_x_2d_pbe_s.c
libxc_la-gga_k_tflw_s.lo: gga_k_tflw_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_tflw_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_tflw_s.Tpo -c -o libxc_la-gga_k_tflw_s.lo `test -f 'gga_k_tflw_s.c' || echo '$(srcdir)/'`gga_k_tflw_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_tflw_s.Tpo $(DEPDIR)/libxc_la-gga_k_tflw_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_tflw_s.c' object='libxc_la-gga_k_tflw_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_tflw_s.lo `test -f 'gga_k_tflw_s.c' || echo '$(srcdir)/'`gga_k_tflw_s.c
libxc_la-gga_k_pearson_s.lo: gga_k_pearson_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_pearson_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_pearson_s.Tpo -c -o libxc_la-gga_k_pearson_s.lo `test -f 'gga_k_pearson_s.c' || echo '$(srcdir)/'`gga_k_pearson_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_pearson_s.Tpo $(DEPDIR)/libxc_la-gga_k_pearson_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_pearson_s.c' object='libxc_la-gga_k_pearson_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_pearson_s.lo `test -f 'gga_k_pearson_s.c' || echo '$(srcdir)/'`gga_k_pearson_s.c
libxc_la-gga_k_ol1_s.lo: gga_k_ol1_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_ol1_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_ol1_s.Tpo -c -o libxc_la-gga_k_ol1_s.lo `test -f 'gga_k_ol1_s.c' || echo '$(srcdir)/'`gga_k_ol1_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_ol1_s.Tpo $(DEPDIR)/libxc_la-gga_k_ol1_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_ol1_s.c' object='libxc_la-gga_k_ol1_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_ol1_s.lo `test -f 'gga_k_ol1_s.c' || echo '$(srcdir)/'`gga_k_ol1_s.c
libxc_la-gga_k_ol2_s.lo: gga_k_ol2_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_ol2_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_ol2_s.Tpo -c -o libxc_la-gga_k_ol2_s.lo `test -f 'gga_k_ol2_s.c' || echo '$(srcdir)/'`gga_k_ol2_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_ol2_s.Tpo $(DEPDIR)/libxc_la-gga_k_ol2_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_ol2_s.c' object='libxc_la-gga_k_ol2_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_ol2_s.lo `test -f 'gga_k_ol2_s.c' || echo '$(srcdir)/'`gga_k_ol2_s.c
libxc_la-gga_k_dk_s.lo: gga_k_dk_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_dk_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_dk_s.Tpo -c -o libxc_la-gga_k_dk_s.lo `test -f 'gga_k_dk_s.c' || echo '$(srcdir)/'`gga_k_dk_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_dk_s.Tpo $(DEPDIR)/libxc_la-gga_k_dk_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_dk_s.c' object='libxc_la-gga_k_dk_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_dk_s.lo `test -f 'gga_k_dk_s.c' || echo '$(srcdir)/'`gga_k_dk_s.c
libxc_la-gga_k_meyer_s.lo: gga_k_meyer_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_k_meyer_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_k_meyer_s.Tpo -c -o libxc_la-gga_k_meyer_s.lo `test -f 'gga_k_meyer_s.c' || echo '$(srcdir)/'`gga_k_meyer_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_k_meyer_s.Tpo $(DEPDIR)/libxc_la-gga_k_meyer_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_k_meyer_s.c' object='libxc_la-gga_k_meyer_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_k_meyer_s.lo `test -f 'gga_k_meyer_s.c' || echo '$(srcdir)/'`gga_k_meyer_s.c
libxc_la-gga_x_vmt_s.lo: gga_x_vmt_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_x_vmt_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_x_vmt_s.Tpo -c -o libxc_la-gga_x_vmt_s.lo `test -f 'gga_x_vmt_s.c' || echo '$(srcdir)/'`gga_x_vmt_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_x_vmt_s.Tpo $(DEPDIR)/libxc_la-gga_x_vmt_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_x_vmt_s.c' object='libxc_la-gga_x_vmt_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_x_vmt_s.lo `test -f 'gga_x_vmt_s.c' || echo '$(srcdir)/'`gga_x_vmt_s.c
libxc_la-gga_xc_oblyp_d_s.lo: gga_xc_oblyp_d_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-gga_xc_oblyp_d_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-gga_xc_oblyp_d_s.Tpo -c -o libxc_la-gga_xc_oblyp_d_s.lo `test -f 'gga_xc_oblyp_d_s.c' || echo '$(srcdir)/'`gga_xc_oblyp_d_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-gga_xc_oblyp_d_s.Tpo $(DEPDIR)/libxc_la-gga_xc_oblyp_d_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='gga_xc_oblyp_d_s.c' object='libxc_la-gga_xc_oblyp_d_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-gga_xc_oblyp_d_s.lo `test -f 'gga_xc_oblyp_d_s.c' || echo '$(srcdir)/'`gga_xc_oblyp_d_s.c
libxc_la-hyb_gga_xc_b3lyp_s.lo: hyb_gga_xc_b3lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_b3lyp_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp_s.Tpo -c -o libxc_la-hyb_gga_xc_b3lyp_s.lo `test -f 'hyb_gga_xc_b3lyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_b3lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_b3lyp_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_b3lyp_s.c' object='libxc_la-hyb_gga_xc_b3lyp_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_b3lyp_s.lo `test -f 'hyb_gga_xc_b3lyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_b3lyp_s.c
libxc_la-hyb_gga_xc_o3lyp_s.lo: hyb_gga_xc_o3lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_o3lyp_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp_s.Tpo -c -o libxc_la-hyb_gga_xc_o3lyp_s.lo `test -f 'hyb_gga_xc_o3lyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_o3lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_o3lyp_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_o3lyp_s.c' object='libxc_la-hyb_gga_xc_o3lyp_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_o3lyp_s.lo `test -f 'hyb_gga_xc_o3lyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_o3lyp_s.c
libxc_la-hyb_gga_xc_pbeh_s.lo: hyb_gga_xc_pbeh_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_pbeh_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_pbeh_s.Tpo -c -o libxc_la-hyb_gga_xc_pbeh_s.lo `test -f 'hyb_gga_xc_pbeh_s.c' || echo '$(srcdir)/'`hyb_gga_xc_pbeh_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_pbeh_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_pbeh_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_pbeh_s.c' object='libxc_la-hyb_gga_xc_pbeh_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_pbeh_s.lo `test -f 'hyb_gga_xc_pbeh_s.c' || echo '$(srcdir)/'`hyb_gga_xc_pbeh_s.c
libxc_la-hyb_gga_xc_b1wc_s.lo: hyb_gga_xc_b1wc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_b1wc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_b1wc_s.Tpo -c -o libxc_la-hyb_gga_xc_b1wc_s.lo `test -f 'hyb_gga_xc_b1wc_s.c' || echo '$(srcdir)/'`hyb_gga_xc_b1wc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_b1wc_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_b1wc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_b1wc_s.c' object='libxc_la-hyb_gga_xc_b1wc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_b1wc_s.lo `test -f 'hyb_gga_xc_b1wc_s.c' || echo '$(srcdir)/'`hyb_gga_xc_b1wc_s.c
libxc_la-hyb_gga_xc_b97_s.lo: hyb_gga_xc_b97_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_b97_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_b97_s.Tpo -c -o libxc_la-hyb_gga_xc_b97_s.lo `test -f 'hyb_gga_xc_b97_s.c' || echo '$(srcdir)/'`hyb_gga_xc_b97_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_b97_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_b97_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_b97_s.c' object='libxc_la-hyb_gga_xc_b97_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_b97_s.lo `test -f 'hyb_gga_xc_b97_s.c' || echo '$(srcdir)/'`hyb_gga_xc_b97_s.c
libxc_la-hyb_gga_xc_hse_s.lo: hyb_gga_xc_hse_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_hse_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_hse_s.Tpo -c -o libxc_la-hyb_gga_xc_hse_s.lo `test -f 'hyb_gga_xc_hse_s.c' || echo '$(srcdir)/'`hyb_gga_xc_hse_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_hse_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_hse_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_hse_s.c' object='libxc_la-hyb_gga_xc_hse_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_hse_s.lo `test -f 'hyb_gga_xc_hse_s.c' || echo '$(srcdir)/'`hyb_gga_xc_hse_s.c
libxc_la-hyb_gga_xc_cam_b3lyp_s.lo: hyb_gga_xc_cam_b3lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_cam_b3lyp_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp_s.Tpo -c -o libxc_la-hyb_gga_xc_cam_b3lyp_s.lo `test -f 'hyb_gga_xc_cam_b3lyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_cam_b3lyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_cam_b3lyp_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_cam_b3lyp_s.c' object='libxc_la-hyb_gga_xc_cam_b3lyp_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_cam_b3lyp_s.lo `test -f 'hyb_gga_xc_cam_b3lyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_cam_b3lyp_s.c
libxc_la-hyb_gga_xc_camy_blyp_s.lo: hyb_gga_xc_camy_blyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_gga_xc_camy_blyp_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp_s.Tpo -c -o libxc_la-hyb_gga_xc_camy_blyp_s.lo `test -f 'hyb_gga_xc_camy_blyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_camy_blyp_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp_s.Tpo $(DEPDIR)/libxc_la-hyb_gga_xc_camy_blyp_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_gga_xc_camy_blyp_s.c' object='libxc_la-hyb_gga_xc_camy_blyp_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_gga_xc_camy_blyp_s.lo `test -f 'hyb_gga_xc_camy_blyp_s.c' || echo '$(srcdir)/'`hyb_gga_xc_camy_blyp_s.c
libxc_la-mgga_s.lo: mgga_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_s.Tpo -c -o libxc_la-mgga_s.lo `test -f 'mgga_s.c' || echo '$(srcdir)/'`mgga_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_s.Tpo $(DEPDIR)/libxc_la-mgga_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_s.c' object='libxc_la-mgga_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_s.lo `test -f 'mgga_s.c' || echo '$(srcdir)/'`mgga_s.c
libxc_la-mgga_x_lta_s.lo: mgga_x_lta_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_lta_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_lta_s.Tpo -c -o libxc_la-mgga_x_lta_s.lo `test -f 'mgga_x_lta_s.c' || echo '$(srcdir)/'`mgga_x_lta_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_lta_s.Tpo $(DEPDIR)/libxc_la-mgga_x_lta_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_lta_s.c' object='libxc_la-mgga_x_lta_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_lta_s.lo `test -f 'mgga_x_lta_s.c' || echo '$(srcdir)/'`mgga_x_lta_s.c
libxc_la-mgga_x_tpss_s.lo: mgga_x_tpss_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_tpss_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_tpss_s.Tpo -c -o libxc_la-mgga_x_tpss_s.lo `test -f 'mgga_x_tpss_s.c' || echo '$(srcdir)/'`mgga_x_tpss_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_tpss_s.Tpo $(DEPDIR)/libxc_la-mgga_x_tpss_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_tpss_s.c' object='libxc_la-mgga_x_tpss_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_tpss_s.lo `test -f 'mgga_x_tpss_s.c' || echo '$(srcdir)/'`mgga_x_tpss_s.c
libxc_la-mgga_x_br89_s.lo: mgga_x_br89_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_br89_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_br89_s.Tpo -c -o libxc_la-mgga_x_br89_s.lo `test -f 'mgga_x_br89_s.c' || echo '$(srcdir)/'`mgga_x_br89_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_br89_s.Tpo $(DEPDIR)/libxc_la-mgga_x_br89_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_br89_s.c' object='libxc_la-mgga_x_br89_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_br89_s.lo `test -f 'mgga_x_br89_s.c' || echo '$(srcdir)/'`mgga_x_br89_s.c
libxc_la-mgga_x_gvt4_s.lo: mgga_x_gvt4_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_gvt4_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_gvt4_s.Tpo -c -o libxc_la-mgga_x_gvt4_s.lo `test -f 'mgga_x_gvt4_s.c' || echo '$(srcdir)/'`mgga_x_gvt4_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_gvt4_s.Tpo $(DEPDIR)/libxc_la-mgga_x_gvt4_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_gvt4_s.c' object='libxc_la-mgga_x_gvt4_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_gvt4_s.lo `test -f 'mgga_x_gvt4_s.c' || echo '$(srcdir)/'`mgga_x_gvt4_s.c
libxc_la-mgga_x_m06l_s.lo: mgga_x_m06l_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_m06l_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_m06l_s.Tpo -c -o libxc_la-mgga_x_m06l_s.lo `test -f 'mgga_x_m06l_s.c' || echo '$(srcdir)/'`mgga_x_m06l_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_m06l_s.Tpo $(DEPDIR)/libxc_la-mgga_x_m06l_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_m06l_s.c' object='libxc_la-mgga_x_m06l_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_m06l_s.lo `test -f 'mgga_x_m06l_s.c' || echo '$(srcdir)/'`mgga_x_m06l_s.c
libxc_la-mgga_x_tau_hcth_s.lo: mgga_x_tau_hcth_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_tau_hcth_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_tau_hcth_s.Tpo -c -o libxc_la-mgga_x_tau_hcth_s.lo `test -f 'mgga_x_tau_hcth_s.c' || echo '$(srcdir)/'`mgga_x_tau_hcth_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_tau_hcth_s.Tpo $(DEPDIR)/libxc_la-mgga_x_tau_hcth_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_tau_hcth_s.c' object='libxc_la-mgga_x_tau_hcth_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_tau_hcth_s.lo `test -f 'mgga_x_tau_hcth_s.c' || echo '$(srcdir)/'`mgga_x_tau_hcth_s.c
libxc_la-mgga_x_2d_prhg07_s.lo: mgga_x_2d_prhg07_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_2d_prhg07_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_2d_prhg07_s.Tpo -c -o libxc_la-mgga_x_2d_prhg07_s.lo `test -f 'mgga_x_2d_prhg07_s.c' || echo '$(srcdir)/'`mgga_x_2d_prhg07_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_2d_prhg07_s.Tpo $(DEPDIR)/libxc_la-mgga_x_2d_prhg07_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_2d_prhg07_s.c' object='libxc_la-mgga_x_2d_prhg07_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_2d_prhg07_s.lo `test -f 'mgga_x_2d_prhg07_s.c' || echo '$(srcdir)/'`mgga_x_2d_prhg07_s.c
libxc_la-mgga_x_pkzb_s.lo: mgga_x_pkzb_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_pkzb_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_pkzb_s.Tpo -c -o libxc_la-mgga_x_pkzb_s.lo `test -f 'mgga_x_pkzb_s.c' || echo '$(srcdir)/'`mgga_x_pkzb_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_pkzb_s.Tpo $(DEPDIR)/libxc_la-mgga_x_pkzb_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_pkzb_s.c' object='libxc_la-mgga_x_pkzb_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_pkzb_s.lo `test -f 'mgga_x_pkzb_s.c' || echo '$(srcdir)/'`mgga_x_pkzb_s.c
libxc_la-mgga_x_m05_s.lo: mgga_x_m05_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_m05_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_m05_s.Tpo -c -o libxc_la-mgga_x_m05_s.lo `test -f 'mgga_x_m05_s.c' || echo '$(srcdir)/'`mgga_x_m05_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_m05_s.Tpo $(DEPDIR)/libxc_la-mgga_x_m05_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_m05_s.c' object='libxc_la-mgga_x_m05_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_m05_s.lo `test -f 'mgga_x_m05_s.c' || echo '$(srcdir)/'`mgga_x_m05_s.c
libxc_la-mgga_x_m08_s.lo: mgga_x_m08_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_m08_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_m08_s.Tpo -c -o libxc_la-mgga_x_m08_s.lo `test -f 'mgga_x_m08_s.c' || echo '$(srcdir)/'`mgga_x_m08_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_m08_s.Tpo $(DEPDIR)/libxc_la-mgga_x_m08_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_m08_s.c' object='libxc_la-mgga_x_m08_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_m08_s.lo `test -f 'mgga_x_m08_s.c' || echo '$(srcdir)/'`mgga_x_m08_s.c
libxc_la-mgga_x_ms_s.lo: mgga_x_ms_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_ms_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_ms_s.Tpo -c -o libxc_la-mgga_x_ms_s.lo `test -f 'mgga_x_ms_s.c' || echo '$(srcdir)/'`mgga_x_ms_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_ms_s.Tpo $(DEPDIR)/libxc_la-mgga_x_ms_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_ms_s.c' object='libxc_la-mgga_x_ms_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_ms_s.lo `test -f 'mgga_x_ms_s.c' || echo '$(srcdir)/'`mgga_x_ms_s.c
libxc_la-mgga_x_mn12_s.lo: mgga_x_mn12_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_mn12_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_mn12_s.Tpo -c -o libxc_la-mgga_x_mn12_s.lo `test -f 'mgga_x_mn12_s.c' || echo '$(srcdir)/'`mgga_x_mn12_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_mn12_s.Tpo $(DEPDIR)/libxc_la-mgga_x_mn12_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_mn12_s.c' object='libxc_la-mgga_x_mn12_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_mn12_s.lo `test -f 'mgga_x_mn12_s.c' || echo '$(srcdir)/'`mgga_x_mn12_s.c
libxc_la-mgga_x_mk00_s.lo: mgga_x_mk00_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_x_mk00_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_x_mk00_s.Tpo -c -o libxc_la-mgga_x_mk00_s.lo `test -f 'mgga_x_mk00_s.c' || echo '$(srcdir)/'`mgga_x_mk00_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_x_mk00_s.Tpo $(DEPDIR)/libxc_la-mgga_x_mk00_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_x_mk00_s.c' object='libxc_la-mgga_x_mk00_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_x_mk00_s.lo `test -f 'mgga_x_mk00_s.c' || echo '$(srcdir)/'`mgga_x_mk00_s.c
libxc_la-mgga_c_vsxc_s.lo: mgga_c_vsxc_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_vsxc_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_vsxc_s.Tpo -c -o libxc_la-mgga_c_vsxc_s.lo `test -f 'mgga_c_vsxc_s.c' || echo '$(srcdir)/'`mgga_c_vsxc_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_vsxc_s.Tpo $(DEPDIR)/libxc_la-mgga_c_vsxc_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_vsxc_s.c' object='libxc_la-mgga_c_vsxc_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_vsxc_s.lo `test -f 'mgga_c_vsxc_s.c' || echo '$(srcdir)/'`mgga_c_vsxc_s.c
libxc_la-mgga_c_pkzb_s.lo: mgga_c_pkzb_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_pkzb_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_pkzb_s.Tpo -c -o libxc_la-mgga_c_pkzb_s.lo `test -f 'mgga_c_pkzb_s.c' || echo '$(srcdir)/'`mgga_c_pkzb_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_pkzb_s.Tpo $(DEPDIR)/libxc_la-mgga_c_pkzb_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_pkzb_s.c' object='libxc_la-mgga_c_pkzb_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_pkzb_s.lo `test -f 'mgga_c_pkzb_s.c' || echo '$(srcdir)/'`mgga_c_pkzb_s.c
libxc_la-mgga_c_bc95_s.lo: mgga_c_bc95_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_bc95_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_bc95_s.Tpo -c -o libxc_la-mgga_c_bc95_s.lo `test -f 'mgga_c_bc95_s.c' || echo '$(srcdir)/'`mgga_c_bc95_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_bc95_s.Tpo $(DEPDIR)/libxc_la-mgga_c_bc95_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_bc95_s.c' object='libxc_la-mgga_c_bc95_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_bc95_s.lo `test -f 'mgga_c_bc95_s.c' || echo '$(srcdir)/'`mgga_c_bc95_s.c
libxc_la-mgga_c_m08_s.lo: mgga_c_m08_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_m08_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_m08_s.Tpo -c -o libxc_la-mgga_c_m08_s.lo `test -f 'mgga_c_m08_s.c' || echo '$(srcdir)/'`mgga_c_m08_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_m08_s.Tpo $(DEPDIR)/libxc_la-mgga_c_m08_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_m08_s.c' object='libxc_la-mgga_c_m08_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_m08_s.lo `test -f 'mgga_c_m08_s.c' || echo '$(srcdir)/'`mgga_c_m08_s.c
libxc_la-mgga_c_cc06_s.lo: mgga_c_cc06_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_cc06_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_cc06_s.Tpo -c -o libxc_la-mgga_c_cc06_s.lo `test -f 'mgga_c_cc06_s.c' || echo '$(srcdir)/'`mgga_c_cc06_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_cc06_s.Tpo $(DEPDIR)/libxc_la-mgga_c_cc06_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_cc06_s.c' object='libxc_la-mgga_c_cc06_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_cc06_s.lo `test -f 'mgga_c_cc06_s.c' || echo '$(srcdir)/'`mgga_c_cc06_s.c
libxc_la-mgga_c_cs_s.lo: mgga_c_cs_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_c_cs_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_c_cs_s.Tpo -c -o libxc_la-mgga_c_cs_s.lo `test -f 'mgga_c_cs_s.c' || echo '$(srcdir)/'`mgga_c_cs_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_c_cs_s.Tpo $(DEPDIR)/libxc_la-mgga_c_cs_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_c_cs_s.c' object='libxc_la-mgga_c_cs_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_c_cs_s.lo `test -f 'mgga_c_cs_s.c' || echo '$(srcdir)/'`mgga_c_cs_s.c
libxc_la-mgga_xc_otpss_d_s.lo: mgga_xc_otpss_d_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-mgga_xc_otpss_d_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-mgga_xc_otpss_d_s.Tpo -c -o libxc_la-mgga_xc_otpss_d_s.lo `test -f 'mgga_xc_otpss_d_s.c' || echo '$(srcdir)/'`mgga_xc_otpss_d_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-mgga_xc_otpss_d_s.Tpo $(DEPDIR)/libxc_la-mgga_xc_otpss_d_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='mgga_xc_otpss_d_s.c' object='libxc_la-mgga_xc_otpss_d_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-mgga_xc_otpss_d_s.lo `test -f 'mgga_xc_otpss_d_s.c' || echo '$(srcdir)/'`mgga_xc_otpss_d_s.c
libxc_la-hyb_mgga_xc_m05_s.lo: hyb_mgga_xc_m05_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_mgga_xc_m05_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_mgga_xc_m05_s.Tpo -c -o libxc_la-hyb_mgga_xc_m05_s.lo `test -f 'hyb_mgga_xc_m05_s.c' || echo '$(srcdir)/'`hyb_mgga_xc_m05_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_mgga_xc_m05_s.Tpo $(DEPDIR)/libxc_la-hyb_mgga_xc_m05_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_mgga_xc_m05_s.c' object='libxc_la-hyb_mgga_xc_m05_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_mgga_xc_m05_s.lo `test -f 'hyb_mgga_xc_m05_s.c' || echo '$(srcdir)/'`hyb_mgga_xc_m05_s.c
libxc_la-hyb_mgga_xc_tpssh_s.lo: hyb_mgga_xc_tpssh_s.c
@am__fastdepCC_TRUE@ $(AM_V_CC)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -MT libxc_la-hyb_mgga_xc_tpssh_s.lo -MD -MP -MF $(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh_s.Tpo -c -o libxc_la-hyb_mgga_xc_tpssh_s.lo `test -f 'hyb_mgga_xc_tpssh_s.c' || echo '$(srcdir)/'`hyb_mgga_xc_tpssh_s.c
@am__fastdepCC_TRUE@ $(AM_V_at)$(am__mv) $(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh_s.Tpo $(DEPDIR)/libxc_la-hyb_mgga_xc_tpssh_s.Plo
@AMDEP_TRUE@@am__fastdepCC_FALSE@ $(AM_V_CC)source='hyb_mgga_xc_tpssh_s.c' object='libxc_la-hyb_mgga_xc_tpssh_s.lo' libtool=yes @AMDEPBACKSLASH@
@AMDEP_TRUE@@am__fastdepCC_FALSE@ DEPDIR=$(DEPDIR) $(CCDEPMODE) $(depcomp) @AMDEPBACKSLASH@
@am__fastdepCC_FALSE@ $(AM_V_CC@am__nodep@)$(LIBTOOL) $(AM_V_lt) --tag=CC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(CC) $(DEFS) $(DEFAULT_INCLUDES) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) -c -o libxc_la-hyb_mgga_xc_tpssh_s.lo `test -f 'hyb_mgga_xc_tpssh_s.c' || echo '$(srcdir)/'`hyb_mgga_xc_tpssh_s.c
.f90.o:
$(AM_V_FC)$(FCCOMPILE) -c -o $@ $(FCFLAGS_f90) $<
.f90.obj:
$(AM_V_FC)$(FCCOMPILE) -c -o $@ $(FCFLAGS_f90) `$(CYGPATH_W) '$<'`
.f90.lo:
$(AM_V_FC)$(LTFCCOMPILE) -c -o $@ $(FCFLAGS_f90) $<
libxc_la-libxc_funcs.lo: libxc_funcs.f90
$(AM_V_FC)$(LIBTOOL) $(AM_V_lt) --tag=FC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(FC) $(AM_FCFLAGS) $(FCFLAGS) -c -o libxc_la-libxc_funcs.lo $(FCFLAGS_f90) `test -f 'libxc_funcs.f90' || echo '$(srcdir)/'`libxc_funcs.f90
libxc_la-libxc.lo: libxc.f90
$(AM_V_FC)$(LIBTOOL) $(AM_V_lt) --tag=FC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(FC) $(AM_FCFLAGS) $(FCFLAGS) -c -o libxc_la-libxc.lo $(FCFLAGS_f90) `test -f 'libxc.f90' || echo '$(srcdir)/'`libxc.f90
libxc_la-libxc_s.lo: libxc_s.f90
$(AM_V_FC)$(LIBTOOL) $(AM_V_lt) --tag=FC $(libxc_la_LIBTOOLFLAGS) $(LIBTOOLFLAGS) --mode=compile $(FC) $(AM_FCFLAGS) $(FCFLAGS) -c -o libxc_la-libxc_s.lo $(FCFLAGS_f90) `test -f 'libxc_s.f90' || echo '$(srcdir)/'`libxc_s.f90
mostlyclean-libtool:
-rm -f *.lo
clean-libtool:
-rm -rf .libs _libs
install-includeHEADERS: $(include_HEADERS)
@$(NORMAL_INSTALL)
@list='$(include_HEADERS)'; test -n "$(includedir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(includedir)'"; \
$(MKDIR_P) "$(DESTDIR)$(includedir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_HEADER) $$files '$(DESTDIR)$(includedir)'"; \
$(INSTALL_HEADER) $$files "$(DESTDIR)$(includedir)" || exit $$?; \
done
uninstall-includeHEADERS:
@$(NORMAL_UNINSTALL)
@list='$(include_HEADERS)'; test -n "$(includedir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(includedir)'; $(am__uninstall_files_from_dir)
install-nodist_includeHEADERS: $(nodist_include_HEADERS)
@$(NORMAL_INSTALL)
@list='$(nodist_include_HEADERS)'; test -n "$(includedir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(includedir)'"; \
$(MKDIR_P) "$(DESTDIR)$(includedir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_HEADER) $$files '$(DESTDIR)$(includedir)'"; \
$(INSTALL_HEADER) $$files "$(DESTDIR)$(includedir)" || exit $$?; \
done
uninstall-nodist_includeHEADERS:
@$(NORMAL_UNINSTALL)
@list='$(nodist_include_HEADERS)'; test -n "$(includedir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(includedir)'; $(am__uninstall_files_from_dir)
ID: $(am__tagged_files)
$(am__define_uniq_tagged_files); mkid -fID $$unique
tags: tags-am
TAGS: tags
tags-am: $(TAGS_DEPENDENCIES) $(am__tagged_files)
set x; \
here=`pwd`; \
$(am__define_uniq_tagged_files); \
shift; \
if test -z "$(ETAGS_ARGS)$$*$$unique"; then :; else \
test -n "$$unique" || unique=$$empty_fix; \
if test $$# -gt 0; then \
$(ETAGS) $(ETAGSFLAGS) $(AM_ETAGSFLAGS) $(ETAGS_ARGS) \
"$$@" $$unique; \
else \
$(ETAGS) $(ETAGSFLAGS) $(AM_ETAGSFLAGS) $(ETAGS_ARGS) \
$$unique; \
fi; \
fi
ctags: ctags-am
CTAGS: ctags
ctags-am: $(TAGS_DEPENDENCIES) $(am__tagged_files)
$(am__define_uniq_tagged_files); \
test -z "$(CTAGS_ARGS)$$unique" \
|| $(CTAGS) $(CTAGSFLAGS) $(AM_CTAGSFLAGS) $(CTAGS_ARGS) \
$$unique
GTAGS:
here=`$(am__cd) $(top_builddir) && pwd` \
&& $(am__cd) $(top_srcdir) \
&& gtags -i $(GTAGS_ARGS) "$$here"
cscopelist: cscopelist-am
cscopelist-am: $(am__tagged_files)
list='$(am__tagged_files)'; \
case "$(srcdir)" in \
[\\/]* | ?:[\\/]*) sdir="$(srcdir)" ;; \
*) sdir=$(subdir)/$(srcdir) ;; \
esac; \
for i in $$list; do \
if test -f "$$i"; then \
echo "$(subdir)/$$i"; \
else \
echo "$$sdir/$$i"; \
fi; \
done >> $(top_builddir)/cscope.files
distclean-tags:
-rm -f TAGS ID GTAGS GRTAGS GSYMS GPATH tags
distdir: $(DISTFILES)
@srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \
topsrcdirstrip=`echo "$(top_srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \
list='$(DISTFILES)'; \
dist_files=`for file in $$list; do echo $$file; done | \
sed -e "s|^$$srcdirstrip/||;t" \
-e "s|^$$topsrcdirstrip/|$(top_builddir)/|;t"`; \
case $$dist_files in \
*/*) $(MKDIR_P) `echo "$$dist_files" | \
sed '/\//!d;s|^|$(distdir)/|;s,/[^/]*$$,,' | \
sort -u` ;; \
esac; \
for file in $$dist_files; do \
if test -f $$file || test -d $$file; then d=.; else d=$(srcdir); fi; \
if test -d $$d/$$file; then \
dir=`echo "/$$file" | sed -e 's,/[^/]*$$,,'`; \
if test -d "$(distdir)/$$file"; then \
find "$(distdir)/$$file" -type d ! -perm -700 -exec chmod u+rwx {} \;; \
fi; \
if test -d $(srcdir)/$$file && test $$d != $(srcdir); then \
cp -fpR $(srcdir)/$$file "$(distdir)$$dir" || exit 1; \
find "$(distdir)/$$file" -type d ! -perm -700 -exec chmod u+rwx {} \;; \
fi; \
cp -fpR $$d/$$file "$(distdir)$$dir" || exit 1; \
else \
test -f "$(distdir)/$$file" \
|| cp -p $$d/$$file "$(distdir)/$$file" \
|| exit 1; \
fi; \
done
check-am: all-am
check: $(BUILT_SOURCES)
$(MAKE) $(AM_MAKEFLAGS) check-am
all-am: Makefile $(LTLIBRARIES) $(PROGRAMS) $(SCRIPTS) $(HEADERS)
install-binPROGRAMS: install-libLTLIBRARIES
installdirs:
for dir in "$(DESTDIR)$(libdir)" "$(DESTDIR)$(bindir)" "$(DESTDIR)$(includedir)" "$(DESTDIR)$(includedir)"; do \
test -z "$$dir" || $(MKDIR_P) "$$dir"; \
done
install: $(BUILT_SOURCES)
$(MAKE) $(AM_MAKEFLAGS) install-am
install-exec: install-exec-am
install-data: install-data-am
uninstall: uninstall-am
install-am: all-am
@$(MAKE) $(AM_MAKEFLAGS) install-exec-am install-data-am
installcheck: installcheck-am
install-strip:
if test -z '$(STRIP)'; then \
$(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \
install; \
else \
$(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \
"INSTALL_PROGRAM_ENV=STRIPPROG='$(STRIP)'" install; \
fi
mostlyclean-generic:
clean-generic:
-test -z "$(CLEANFILES)" || rm -f $(CLEANFILES)
distclean-generic:
-test -z "$(CONFIG_CLEAN_FILES)" || rm -f $(CONFIG_CLEAN_FILES)
-test . = "$(srcdir)" || test -z "$(CONFIG_CLEAN_VPATH_FILES)" || rm -f $(CONFIG_CLEAN_VPATH_FILES)
maintainer-clean-generic:
@echo "This command is intended for maintainers to use"
@echo "it deletes files that may require special tools to rebuild."
-test -z "$(BUILT_SOURCES)" || rm -f $(BUILT_SOURCES)
clean: clean-am
clean-am: clean-binPROGRAMS clean-generic clean-libLTLIBRARIES \
clean-libtool mostlyclean-am
distclean: distclean-am
-rm -rf ./$(DEPDIR)
-rm -f Makefile
distclean-am: clean-am distclean-compile distclean-generic \
distclean-tags
dvi: dvi-am
dvi-am:
html: html-am
html-am:
info: info-am
info-am:
install-data-am: install-includeHEADERS install-nodist_includeHEADERS
install-dvi: install-dvi-am
install-dvi-am:
install-exec-am: install-binPROGRAMS install-libLTLIBRARIES
install-html: install-html-am
install-html-am:
install-info: install-info-am
install-info-am:
install-man:
install-pdf: install-pdf-am
install-pdf-am:
install-ps: install-ps-am
install-ps-am:
installcheck-am:
maintainer-clean: maintainer-clean-am
-rm -rf ./$(DEPDIR)
-rm -f Makefile
maintainer-clean-am: distclean-am maintainer-clean-generic
mostlyclean: mostlyclean-am
mostlyclean-am: mostlyclean-compile mostlyclean-generic \
mostlyclean-libtool
pdf: pdf-am
pdf-am:
ps: ps-am
ps-am:
uninstall-am: uninstall-binPROGRAMS uninstall-includeHEADERS \
uninstall-libLTLIBRARIES uninstall-nodist_includeHEADERS
.MAKE: all check install install-am install-strip
.PHONY: CTAGS GTAGS TAGS all all-am check check-am clean \
clean-binPROGRAMS clean-generic clean-libLTLIBRARIES \
clean-libtool cscopelist-am ctags ctags-am distclean \
distclean-compile distclean-generic distclean-libtool \
distclean-tags distdir dvi dvi-am html html-am info info-am \
install install-am install-binPROGRAMS install-data \
install-data-am install-dvi install-dvi-am install-exec \
install-exec-am install-html install-html-am \
install-includeHEADERS install-info install-info-am \
install-libLTLIBRARIES install-man \
install-nodist_includeHEADERS install-pdf install-pdf-am \
install-ps install-ps-am install-strip installcheck \
installcheck-am installdirs maintainer-clean \
maintainer-clean-generic mostlyclean mostlyclean-compile \
mostlyclean-generic mostlyclean-libtool pdf pdf-am ps ps-am \
tags tags-am uninstall uninstall-am uninstall-binPROGRAMS \
uninstall-includeHEADERS uninstall-libLTLIBRARIES \
uninstall-nodist_includeHEADERS
.c_s.c:
@CPP@ -D SINGLE_PRECISION @CPPFLAGS@ $(INCLUDES) $(DEFAULT_INCLUDES) $(AM_CPPFLAGS) $< > $*_s.c
xc_funcs.h libxc_funcs.f90 funcs_lda.c funcs_gga.c funcs_hyb_gga.c funcs_mgga.c funcs_hyb_mgga.c funcs_key.c: get_funcs.pl
$(srcdir)/get_funcs.pl $(srcdir) $(top_builddir)
# Surprisingly, libtool/automake do not seem to provide a macro or variable for what the object names will be,
# so we have to extract it ourselves. LTPREF=libxc_la-, or blank for older libtool/automake versions.
# Produces these warnings on some systems. Does not seem to matter.
#src/Makefile.am:140: subst special_functions.lo,,$(firstword $(am_libxc_la_OBJECTS: non-POSIX variable name
#src/Makefile.am:140: (probably a GNU make extension)
$(LIBFUNCMOD) $(LIBSFUNCMOD): $(LTPREF)libxc_funcs.lo
libxc.f90 : libxc_master.F90
@FCCPP@ @CPPFLAGS@ $(AM_CPPFLAGS) $(srcdir)/libxc_master.F90 > $(top_builddir)/src/libxc.f90
@if [ "@F90_ACCEPTS_LINE_NUMBERS@" = "no" ]; then \
grep -v "^#" $(top_builddir)/src/libxc.f90 > $(top_builddir)/src/libxc.f91; \
mv -f $(top_builddir)/src/libxc.f91 $(top_builddir)/src/libxc.f90; \
fi
libxc_s.f90 : libxc_master.F90
@FCCPP@ -D SINGLE_PRECISION @CPPFLAGS@ $(AM_CPPFLAGS) $(srcdir)/libxc_master.F90 > $(top_builddir)/src/libxc_s.f90
@if [ "@F90_ACCEPTS_LINE_NUMBERS@" = "no" ]; then \
grep -v "^#" $(top_builddir)/src/libxc_s.f90 > $(top_builddir)/src/libxc_s.f91; \
mv -f $(top_builddir)/src/libxc_s.f91 $(top_builddir)/src/libxc_s.f90; \
fi
$(LTPREF)libxc.lo $(LTPREF)libxc.o : $(LIBFUNCMOD)
$(LTPREF)libxc_s.lo $(LTPREF)libxc_s.o : $(LIBSFUNCMOD)
$(XCLIBMODS) : $(LTPREF)libxc.lo
$(XCLIBMODS_S) : $(LTPREF)libxc_s.lo
# Tell versions [3.59,3.63) of GNU make to not export all variables.
# Otherwise a system limit (for SysV at least) may be exceeded.
.NOEXPORT:
libxc-2.1.2/src/stoll.c 0000664 0001750 0001750 00000012614 12471363260 011640 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
void
XC(lda_stoll) (const XC(func_type) *pw, FLOAT dens, FLOAT zeta, int order, XC(lda_work_t) res[3])
{
static const FLOAT sign[2] = {1.0, -1.0};
int is;
FLOAT opz[2] = {1.0 + zeta, 1.0 - zeta};
res[2].rs[1] = RS(dens);
/* first we get the parallel contributions */
for(is=0; is<2; is++){
FLOAT opz13;
if(opz[is] < pw->info->min_zeta){
res[is].zk = 0.0;
if(order >= 1) res[is].dedz = res[is].dedrs = 0.0;
}else{
FLOAT drssdrs, drssdz, d2rssdrsz, d2rssdz2;
FLOAT LDA_zk, LDA_dedrs, LDA_d2edrs2;
opz13 = CBRT(opz[is]);
res[is].rs[1] = RS(dens*opz[is]/2.0);
res[is].rs[0] = sqrt(res[is].rs[1]);
res[is].rs[2] = res[is].rs[1]*res[is].rs[1];
res[is].zeta = sign[is];
res[is].order = order;
XC(lda_c_pw_func)(pw, &(res[is]));
LDA_zk = res[is].zk;
res[is].zk *= opz[is]/2.0;
if(order < 1) continue;
LDA_dedrs = res[is].dedrs;
drssdrs = M_CBRT2/opz13;
drssdz = -sign[is]*res[is].rs[1]/(3.0*opz[is]);
res[is].dedrs = LDA_dedrs*drssdrs*opz[is]/2.0;
res[is].dedz = LDA_zk*sign[is]/2.0 + LDA_dedrs*drssdz*opz[is]/2.0;
if(order < 2) continue;
LDA_d2edrs2 = res[is].d2edrs2;
d2rssdrsz = -sign[is]*M_CBRT2/(3.0*opz13*opz[is]);
d2rssdz2 = res[is].rs[1]*4.0/(9.0*opz[is]*opz[is]);
res[is].d2edrs2 = LDA_d2edrs2*drssdrs*drssdrs*opz[is]/2.0;
res[is].d2edrsz = sign[is]*LDA_dedrs*drssdrs/2.0 + (LDA_d2edrs2*drssdrs*drssdz + LDA_dedrs*d2rssdrsz)*opz[is]/2.0;
res[is].d2edz2 = sign[is]*LDA_dedrs*drssdz + (LDA_d2edrs2*drssdz*drssdz + LDA_dedrs*d2rssdz2)*opz[is]/2.0;
}
}
/* and now the perpendicular */
res[2].rs[0] = sqrt(res[2].rs[1]);
res[2].rs[2] = res[2].rs[1]*res[2].rs[1];
res[is].zeta = zeta;
res[is].order = order;
XC(lda_c_pw_func)(pw, &(res[2]));
res[2].zk -= res[0].zk + res[1].zk;
if(order < 1) return;
res[2].dedrs -= res[0].dedrs + res[1].dedrs;
res[2].dedz -= res[0].dedz + res[1].dedz;
if(order < 2) return;
res[2].d2edrs2 -= res[0].d2edrs2 + res[1].d2edrs2;
res[2].d2edrsz -= res[0].d2edrsz + res[1].d2edrsz;
res[2].d2edz2 -= res[0].d2edz2 + res[1].d2edz2;
}
void
XC(pbe_c_stoll) (const XC(func_type) *pbe, int get_max, const XC(mgga_work_c_t) *in, XC(gga_work_c_t) out[3])
{
static const FLOAT sign[2] = {1.0, -1.0};
int is;
FLOAT opz[2] = {1.0 + in->zeta, 1.0 - in->zeta};
/* first we get the perpendicular contributions */
out[2].order = in->order;
out[2].dens = in->dens;
out[2].rs = in->rs;
out[2].zeta = in->zeta;
out[2].xt = in->xt;
out[2].xs[0] = in->xs[0];
out[2].xs[1] = in->xs[1];
XC(gga_c_pbe_func) (pbe, &(out[2]));
/* and now the parallel contributions */
for(is=0; is<2; is++){
FLOAT opz13;
if(in->ds[is] < pbe->info->min_dens){
out[is].f = 0.0;
if(in->order >= 1){
out[is].dfdrs = out[is].dfdz = out[is].dfdxt = 0.0;
out[is].dfdxs[0] = out[is].dfdxs[1] = 0.0;
}
}else{
FLOAT drssdrs, drssdz;
FLOAT GGA_f, GGA_dfdrs;
opz13 = CBRT(opz[is]);
out[is].order = in->order;
out[is].dens = in->ds[is];
out[is].rs = RS(out[is].dens);
out[is].zeta = sign[is];
out[is].xt = (is == 0) ? in->xs[0] : in->xs[1];
out[is].xs[0] = (is == 0) ? in->xs[0] : 0.0;
out[is].xs[1] = (is == 1) ? in->xs[1] : 0.0;
XC(gga_c_pbe_func) (pbe, &(out[is]));
if(get_max && out[is].f < out[2].f){
/* perform maximum operation */
out[is].f = out[2].f;
if(in->order >= 1){
out[is].dfdrs = out[2].dfdrs;
out[is].dfdz = out[2].dfdz;
out[is].dfdxs[0] = out[2].dfdxs[0];
out[is].dfdxs[1] = out[2].dfdxs[1];
out[is].dfdxt = out[2].dfdxt;
}
}else{
if(in->order >= 1){
GGA_dfdrs = out[is].dfdrs;
drssdrs = M_CBRT2/opz13;
drssdz = -sign[is]*out[is].rs/(3.0*opz[is]);
out[is].dfdrs = GGA_dfdrs*drssdrs;
out[is].dfdz = GGA_dfdrs*drssdz;
if(is == 0){
out[is].dfdxs[0] += out[is].dfdxt;
out[is].dfdxs[1] = 0.0;
}else{
out[is].dfdxs[0] = 0.0;
out[is].dfdxs[1] += out[is].dfdxt;
}
out[is].dfdxt = 0.0;
}
}
/* take care of the opz[is]/2 factor */
GGA_f = out[is].f;
out[is].f *= opz[is]/2.0;
if(in->order < 1) continue;
out[is].dfdrs = out[is].dfdrs*opz[is]/2.0;
out[is].dfdz = GGA_f*sign[is]/2.0 + out[is].dfdz*opz[is]/2.0;
out[is].dfdxs[0] = out[is].dfdxs[0]*opz[is]/2.0;
out[is].dfdxs[1] = out[is].dfdxs[1]*opz[is]/2.0;
out[is].dfdxt = out[is].dfdxt*opz[is]/2.0;
if(in->order < 2) continue;
}
}
}
libxc-2.1.2/src/gga_x_2d_pbe.c 0000664 0001750 0001750 00000004346 12471363260 013006 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
#define XC_GGA_X_2D_PBE 129 /* Perdew, Burke & Ernzerhof exchange in 2D */
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
//FILE *fin;
static const FLOAT kappa[1] = {
0.4604, /* original PBE */
};
FLOAT mu[1] = {
0.354546875,
};
FLOAT ss, f0, df0, d2f0;
int func;
switch(p->info->number){
default: func = 0; /* original PBE */
}
//fin = fopen("gga_x_2d_b88_params", "r");
//fscanf(fin, "%lf", &mu[0]);
//fclose(fin);
ss = X2S_2D*x;
f0 = kappa[func] + mu[func]*ss*ss;
*f = 1.0 + kappa[func]*(1.0 - kappa[func]/f0);
if(order < 1) return;
df0 = 2.0*ss*mu[func];
*dfdx = X2S_2D*kappa[func]*kappa[func]*df0/(f0*f0);
if(order < 2) return;
d2f0 = 2.0*mu[func];
*d2fdx2 = X2S_2D*X2S_2D*kappa[func]*kappa[func]/(f0*f0)*(d2f0 - 2.0*df0*df0/f0);
}
#define XC_DIMENSIONS 2
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_2d_pbe) = {
XC_GGA_X_2D_PBE,
XC_EXCHANGE,
"Perdew, Burke & Ernzerhof in 2D",
XC_FAMILY_GGA,
"G Vilhena and MAL Marques, unpublished\n"
"JP Perdew, K Burke, and M Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)\n"
"JP Perdew, K Burke, and M Ernzerhof, Phys. Rev. Lett. 78, 1396(E) (1997)",
XC_FLAGS_2D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL, NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/hyb_gga_xc_cam_b3lyp.c 0000664 0001750 0001750 00000005361 12471363260 014527 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_HYB_GGA_XC_CAM_B3LYP 433 /* CAM version of B3LYP */
#define XC_HYB_GGA_XC_TUNED_CAM_B3LYP 434 /* CAM version of B3LYP tunes for excitations*/
void
XC(hyb_gga_xc_cam_b3lyp_init)(XC(func_type) *p)
{
static FLOAT ac = 0.81;
static int funcs_id [4] = {XC_GGA_X_B88, XC_GGA_X_ITYH, XC_LDA_C_VWN, XC_GGA_C_LYP};
static FLOAT funcs_coef[4];
switch(p->info->number){
case XC_HYB_GGA_XC_CAM_B3LYP:
/* N.B. The notation used in Yanai et al uses a different
convention for alpha and beta. In libxc, alpha is the weight
for HF exchange, which in Yanai et al is alpha+beta.
*/
p->cam_omega = 0.33;
p->cam_alpha = 0.65;
p->cam_beta =-0.46;
break;
case XC_HYB_GGA_XC_TUNED_CAM_B3LYP:
/* The same note applies here. */
p->cam_omega = 0.150;
p->cam_alpha = 1.0000;
p->cam_beta =-0.9201;
break;
}
funcs_coef[0] = 1.0 - p->cam_alpha;
funcs_coef[1] = -p->cam_beta;
funcs_coef[2] = 1.0 - ac;
funcs_coef[3] = ac;
XC(mix_init)(p, 4, funcs_id, funcs_coef);
XC(gga_x_ityh_set_params)(p->func_aux[1], XC_GGA_X_B88, p->cam_omega);
}
const XC(func_info_type) XC(func_info_hyb_gga_xc_cam_b3lyp) = {
XC_HYB_GGA_XC_CAM_B3LYP,
XC_EXCHANGE_CORRELATION,
"CAM version of B3LYP",
XC_FAMILY_HYB_GGA,
"T Yanai, DP Tew, NC Handy, Chem. Phys. Lett. 393, 51-57 (2004)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_cam_b3lyp_init),
NULL, NULL, NULL, NULL
};
const XC(func_info_type) XC(func_info_hyb_gga_xc_tuned_cam_b3lyp) = {
XC_HYB_GGA_XC_TUNED_CAM_B3LYP,
XC_EXCHANGE_CORRELATION,
"CAM version of B3LYP",
XC_FAMILY_HYB_GGA,
"K Okuno, Y Shigeta, R Kishi, H Miyasaka, M Nakano, J. Photochem. Photobiol., A 235, 29-34 (2012)",
XC_FLAGS_3D | XC_FLAGS_HYB_CAM | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
XC(hyb_gga_xc_cam_b3lyp_init),
NULL, NULL, NULL, NULL
};
libxc-2.1.2/src/gga_c_op.c 0000664 0001750 0001750 00000015555 12471363260 012250 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_C_OP_B88 87 /* one-parameter progressive functional (B88 version) */
#define XC_GGA_C_OP_PBE 86 /* one-parameter progressive functional (PBE version) */
#define XC_GGA_C_OP_G96 85 /* one-parameter progressive functional (G96 version) */
#define XC_GGA_C_OP_XALPHA 84 /* one-parameter progressive functional (XALPHA version) */
typedef struct{
FLOAT qOPab;
xc_gga_enhancement_t enhancement_factor;
} gga_c_op_params;
static void gga_c_op_init(XC(func_type) *p)
{
gga_c_op_params *params;
assert(p != NULL && p->params == NULL);
p->params = malloc(sizeof(gga_c_op_params));
params = (gga_c_op_params *) (p->params);
if(p->info->number != XC_GGA_C_OP_XALPHA){
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
}
switch(p->info->number){
case XC_GGA_C_OP_B88:
XC(func_init) (p->func_aux[0], XC_GGA_X_B88, XC_POLARIZED);
params->enhancement_factor = XC(gga_x_b88_enhance);
params->qOPab = 2.3670;
break;
case XC_GGA_C_OP_PBE:
XC(func_init) (p->func_aux[0], XC_GGA_X_PBE, XC_POLARIZED);
params->enhancement_factor = XC(gga_x_pbe_enhance);
params->qOPab = 2.3789;
break;
case XC_GGA_C_OP_G96:
XC(func_init) (p->func_aux[0], XC_GGA_X_G96, XC_POLARIZED);
params->enhancement_factor = XC(gga_x_g96_enhance);
params->qOPab = 2.3638;
break;
case XC_GGA_C_OP_XALPHA:
params->enhancement_factor = NULL;
params->qOPab = 2.5654;
break;
default:
fprintf(stderr, "Internal error in gga_c_op\n");
exit(1);
}
}
static inline void
func(const XC(func_type) *p, XC(gga_work_c_t) *r)
{
static const FLOAT a1 = 1.5214, a2 = 0.5764, b1 = 1.1284, b2 = 0.3183;
gga_c_op_params *params;
FLOAT eu_f, eu_dfdx, eu_d2fdx2, ed_f, ed_dfdx, ed_d2fdx2;
FLOAT cnst, cnst13, pref, opz, omz, opz13, omz13, beta_num, beta_den, beta, beta2, f_num, f_den;
FLOAT dbeta_numdz, dbeta_numdxs[2], dbeta_dendz, dbeta_dendxs[2], dbetadz, dbetadxs[2];
FLOAT df_numdz, df_numdrs, df_numdbeta, df_dendrs, df_dendbeta, dfdbeta;
assert(p != NULL && p->params != NULL);
params = (gga_c_op_params *) (p->params);
if(ABS(r->zeta) > 1.0 - p->info->min_zeta){
r->f = 0.0;
}else{
/* call enhancement factor */
if(p->info->number != XC_GGA_C_OP_XALPHA){
params->enhancement_factor(p->func_aux[0], r->order, r->xs[0], &eu_f, &eu_dfdx, &eu_d2fdx2, NULL);
params->enhancement_factor(p->func_aux[0], r->order, r->xs[1], &ed_f, &ed_dfdx, &ed_d2fdx2, NULL);
}else{
eu_f = ed_f = 1.0;
eu_dfdx = ed_dfdx = 0.0;
eu_d2fdx2 = ed_d2fdx2 = 0.0;
}
cnst = 4.0*M_PI/3.0;
cnst13 = CBRT(cnst);
pref = params->qOPab*2.0*X_FACTOR_C/(M_CBRT2*cnst13);
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
opz13 = POW(opz, 1.0/3.0);
omz13 = POW(omz, 1.0/3.0);
beta_num = pref * opz13*omz13 * eu_f*ed_f;
beta_den = opz13*eu_f + omz13*ed_f;
beta = beta_num/beta_den;
beta2 = beta*beta;
f_num = -opz*omz*(a1*beta + a2*r->rs);
f_den = 4.0*cnst*beta2*(beta2 + b1*r->rs*beta + b2*r->rs*r->rs);
r->f = f_num/f_den;
}
if(r->order < 1) return;
if(ABS(r->zeta) > 1.0 - p->info->min_zeta){
r->dfdrs = r->dfdz = r->dfdxt = r->dfdxs[0] = r->dfdxs[1] = 0.0;
}else{
dbeta_numdz = pref * (-2.0*r->zeta/(3.0*opz13*opz13*omz13*omz13)) * eu_f*ed_f;
dbeta_numdxs[0] = pref * opz13*omz13 * eu_dfdx*ed_f;
dbeta_numdxs[1] = pref * opz13*omz13 * eu_f*ed_dfdx;
dbeta_dendz = eu_f/(3.0*opz13*opz13) - ed_f/(3.0*omz13*omz13);
dbeta_dendxs[0] = opz13*eu_dfdx;
dbeta_dendxs[1] = omz13*ed_dfdx;
dbetadz = ( dbeta_numdz*beta_den - beta_num*dbeta_dendz )/(beta_den*beta_den);
dbetadxs[0] = (dbeta_numdxs[0]*beta_den - beta_num*dbeta_dendxs[0])/(beta_den*beta_den);
dbetadxs[1] = (dbeta_numdxs[1]*beta_den - beta_num*dbeta_dendxs[1])/(beta_den*beta_den);
df_numdz = 2.0*r->zeta*(a1*beta + a2*r->rs);
df_numdrs = -opz*omz*a2;
df_numdbeta = -opz*omz*a1;
df_dendrs = 4.0*cnst*beta2*(b1*beta + 2.0*b2*r->rs);
df_dendbeta = 4.0*cnst*beta*(4.0*beta2 + 3.0*b1*r->rs*beta + 2.0*b2*r->rs*r->rs);
dfdbeta = (df_numdbeta*f_den - f_num*df_dendbeta)/(f_den*f_den);
r->dfdrs = (df_numdrs*f_den - f_num*df_dendrs)/(f_den*f_den);
r->dfdz = df_numdz/f_den + dfdbeta*dbetadz;
r->dfdxt = 0.0;
r->dfdxs[0] = dfdbeta*dbetadxs[0];
r->dfdxs[1] = dfdbeta*dbetadxs[1];
}
if(r->order < 2) return;
}
#include "work_gga_c.c"
const XC(func_info_type) XC(func_info_gga_c_op_b88) = {
XC_GGA_C_OP_B88,
XC_CORRELATION,
"one-parameter progressive functional (B88 version)",
XC_FAMILY_GGA,
"T Tsuneda, T Suzumura, and K Hirao, J. Chem. Phys. 110, 10664 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-12, 1e-32, 0.0, 1e-10,
gga_c_op_init,
NULL, NULL,
work_gga_c,
NULL
};
const XC(func_info_type) XC(func_info_gga_c_op_pbe) = {
XC_GGA_C_OP_PBE,
XC_CORRELATION,
"one-parameter progressive functional (PBE version)",
XC_FAMILY_GGA,
"T Tsuneda, T Suzumura, and K Hirao, J. Chem. Phys. 111, 5656 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-12, 1e-32, 0.0, 1e-10,
gga_c_op_init,
NULL, NULL,
work_gga_c,
NULL
};
const XC(func_info_type) XC(func_info_gga_c_op_g96) = {
XC_GGA_C_OP_G96,
XC_CORRELATION,
"one-parameter progressive functional (G96 version)",
XC_FAMILY_GGA,
"T Tsuneda, T Suzumura, and K Hirao, J. Chem. Phys. 111, 5656 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-12, 1e-32, 0.0, 1e-10,
gga_c_op_init,
NULL, NULL,
work_gga_c,
NULL
};
const XC(func_info_type) XC(func_info_gga_c_op_xalpha) = {
XC_GGA_C_OP_XALPHA,
XC_CORRELATION,
"one-parameter progressive functional (Xalpha version)",
XC_FAMILY_GGA,
"T Tsuneda, T Suzumura, and K Hirao, J. Chem. Phys. 111, 5656 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-12, 1e-32, 0.0, 1e-10,
gga_c_op_init,
NULL, NULL,
work_gga_c,
NULL
};
libxc-2.1.2/src/lda_c_1d_csc.c 0000664 0001750 0001750 00000015336 12471363260 012765 0000000 0000000 /*
Copyright (C) 2006-2009 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_LDA_C_1D_CSC 18 /* Casula, Sorella, and Senatore 1D correlation */
typedef struct{
int interaction; /* 0: exponentially screened; 1: soft-Coulomb */
int ii; /* index in the parameter list */
FLOAT bb; /* screening parameter */
} lda_c_1d_csc_params;
static void
lda_c_1d_csc_init(XC(func_type) *p)
{
assert(p != NULL && p->params == NULL);
p->params = malloc(sizeof(lda_c_1d_csc_params));
/* default value is soft-Coulomb with beta=1.0 */
XC(lda_c_1d_csc_set_params)(p, 1, 1.0);
}
void
XC(lda_c_1d_csc_set_params)(XC(func_type) *p, int interaction, FLOAT bb)
{
lda_c_1d_csc_params *params;
assert(p != NULL && p->params != NULL);
params = (lda_c_1d_csc_params *)(p->params);
assert(params != NULL);
params->interaction = -1;
params->ii = -1;
if(interaction == 0){
if (bb == 0.1)
params->ii = 0;
else if(bb == 0.3)
params->ii = 1;
else if(bb == 0.5)
params->ii = 2;
else if(bb == 0.75)
params->ii = 3;
else if(bb == 1.0)
params->ii = 4;
else if(bb == 2.0)
params->ii = 5;
else if(bb == 4.0)
params->ii = 6;
}else if(interaction == 1){
if (bb == 0.5)
params->ii = 7 + 0;
else if(bb == 1.0)
params->ii = 7 + 1;
}
if(params->ii < 0){
fprintf(stderr, "Invalid value of parameters (inter,b) = (%d,%f) in lda_c_1d_csc_set_params", interaction, bb);
exit(1);
}
params->interaction = interaction;
params->bb = bb;
}
typedef struct {
FLOAT A, B, C, D, E, n1, n2, alpha, beta, m;
} lda_csc_param_t;
static void
csc_func(lda_csc_param_t *pp, XC(lda_work_t) *r, FLOAT *func, FLOAT *dfunc, FLOAT *d2func)
{
FLOAT rs_n1, rs_n2, rs_m, arg, larg, den, aux, num;
FLOAT darg, dnum, dden, daux;
FLOAT d2arg, d2num, d2den, d2aux;
rs_n1 = POW(r->rs[1], pp->n1);
rs_n2 = POW(r->rs[1], pp->n2);
rs_m = POW(r->rs[1], pp->m);
arg = 1.0 + pp->alpha*r->rs[1] + pp->beta*rs_m;
larg = LOG(arg);
den = pp->A + pp->B*r->rs[1] + pp->C*rs_n1 + pp->D*rs_n2;
aux = r->rs[1] + pp->E*r->rs[2];
num = -aux*larg;
*func = num/den;
*func /= 2.0; /* conversion from Ry to Hartree */
if(r->order < 1) return;
darg = pp->alpha + pp->beta*pp->m*rs_m/r->rs[1];
dden = pp->B + pp->C*pp->n1*rs_n1/r->rs[1] + pp->D*pp->n2*rs_n2/r->rs[1];
daux = 1.0 + 2.0*pp->E*r->rs[1];
dnum = -(daux*larg + aux*darg/arg);
*dfunc = (dnum*den - dden*num)/(den*den);
*dfunc /= 2.0; /* conversion from Ry to Hartree */
if(r->order < 2) return;
d2arg = pp->beta*pp->m*(pp->m - 1.0)*rs_m/r->rs[2];
d2den = pp->C*pp->n1*(pp->n1 - 1.0)*rs_n1/r->rs[2] + pp->D*pp->n2*(pp->n2 - 1.0)*rs_n2/r->rs[2];
d2aux = 2.0*pp->E;
d2num = -(2.0*daux*arg*darg - aux*darg*darg + d2aux*arg*arg*larg + aux*arg*d2arg)/(arg*arg);
*d2func = (2.0*num*dden*dden - 2.0*den*dden*dnum - den*num*d2den + den*den*d2num)/(den*den*den);
*d2func /= 2.0; /* conversion from Ry to Hartree */
}
static inline void
func(const XC(func_type) *p, XC(lda_work_t) *r)
{
lda_csc_param_t pp[2][9] = {
{ /* paramagnetic */
{ 4.66, 0.0, 2.092, 3.735, 0.0, 1.379, 2.0, 23.63, 109.9, 1.837}, /* exponentially screened interaction */
{ 9.5, 0.0, 1.85, 5.64, 0.0, 0.882, 2.0, 5.346, 6.69, 3.110},
{ 16.40, 0.0, 2.90, 6.235, 0.0, 0.908, 2.0, 3.323, 2.23, 3.368},
{ 22.53, 0.0, 2.09, 7.363, 0.0, 0.906, 2.0, 2.029, 0.394, 4.070},
{ 32.1, 0.0, 3.77, 7.576, 0.0, 0.941, 2.0, 1.63, 0.198, 4.086},
{110.5, 0.0, 7.90, 8.37, 0.0, 1.287, 2.0, 1.399, 0.0481, 4.260},
{413.0, 0.0, 10.8, 7.99, 0.0, 1.549, 2.0, 1.308, 0.0120, 4.165},
{ 7.40, 1.120, 1.890, 0.0964, 0.0250, 2.0, 3.0, 2.431, 0.0142, 2.922}, /* soft-Coulomb interaction */
{18.40, 0.0, 7.501, 0.10185, 0.012827, 2.0, 3.0, 1.511, 0.258, 4.424}
},{ /* ferromagnetic */
{ 4.66, 0.0, 2.092, 3.735, 0.0, 1.379, 2.0, 23.63, 109.9, 1.837}, /* exponentially screened interaction */
{ 9.5, 0.0, 1.85, 5.64, 0.0, 0.882, 2.0, 5.346, 6.69, 3.110},
{ 16.40, 0.0, 2.90, 6.235, 0.0, 0.908, 2.0, 3.323, 2.23, 3.368},
{ 22.53, 0.0, 2.09, 7.363, 0.0, 0.906, 2.0, 2.029, 0.394, 4.070},
{ 32.1, 0.0, 3.77, 7.576, 0.0, 0.941, 2.0, 1.63, 0.198, 4.086},
{110.5, 0.0, 7.90, 8.37, 0.0, 1.287, 2.0, 1.399, 0.0481, 4.260},
{413.0, 0.0, 10.8, 7.99, 0.0, 1.549, 2.0, 1.308, 0.0120, 4.165},
{ 7.40, 1.120, 1.890, 0.0964, 0.0250, 2.0, 3.0, 2.431, 0.0142, 2.922}, /* soft-Coulomb interaction */
{ 5.24, 0.0, 1.568, 0.12856, 0.003201, 2.0, 3.0, 0.0538, 1.56e-5, 2.958}
}
};
int ii;
FLOAT zk_p, zk_f, dzk_p, dzk_f, d2zk_p, d2zk_f;
assert(p->params != NULL);
ii = ((lda_c_1d_csc_params *)p->params)->ii;
csc_func(&(pp[0][ii]), r, &zk_p, &dzk_p, &d2zk_p);
r->zk = zk_p;
if(p->nspin == XC_POLARIZED){
csc_func(&(pp[1][ii]), r, &zk_f, &dzk_f, &d2zk_f);
r->zk += (zk_f - zk_p)*r->zeta*r->zeta;
}
if(r->order < 1) return;
r->dedrs = dzk_p;
if(p->nspin == XC_POLARIZED){
r->dedrs += (dzk_f - dzk_p)*r->zeta*r->zeta;
r->dedz = 2.0*(zk_f - zk_p)*r->zeta;
}else
r->dedz = 0.0;
if(r->order < 2) return;
r->d2edrs2 = d2zk_p;
if(p->nspin == XC_POLARIZED){
r->d2edrs2 += (d2zk_f - d2zk_p)*r->zeta*r->zeta;
r->d2edrsz = 2.0*(dzk_f - dzk_p)*r->zeta;
r->d2edz2 = 2.0*(zk_f - zk_p);
}else{
r->d2edrsz = 0.0;
r->d2edz2 = 0.0;
}
}
#define XC_DIMENSIONS 1
#include "work_lda.c"
const XC(func_info_type) XC(func_info_lda_c_1d_csc) = {
XC_LDA_C_1D_CSC,
XC_CORRELATION,
"Casula, Sorella & Senatore",
XC_FAMILY_LDA,
"M Casula, S Sorella, and G Senatore, Phys. Rev. B 74, 245427 (2006)",
XC_FLAGS_1D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 0.0, 0.0, 1e-32,
lda_c_1d_csc_init, /* init */
NULL, /* end */
work_lda, /* lda */
NULL,
NULL
};
libxc-2.1.2/src/mgga_x_lta.c 0000664 0001750 0001750 00000003503 12471363260 012602 0000000 0000000 /*
Copyright (C) 2006-2008 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include "util.h"
/* Local tau approximation */
#define XC_MGGA_X_LTA 201 /* Local tau approximation of Ernzerhof & Scuseria */
static void
func(const XC(func_type) *pt, XC(mgga_work_x_t) *r)
{
/* POW(10.0/(3.0*POW(6.0*M_PI*M_PI, 2.0/3.0)), 4.0/5.0) = (2/C_F)^(4/5) */
const FLOAT a1 = 0.297163728291293581339216378935;
FLOAT t;
t = r->t; /* we use a different definition of t */
r->f = a1*POW(t, 4.0/5.0);
if(r->order < 1) return;
r->dfdt = (t > 1e-10) ? a1*4.0/5.0*POW(t, -1.0/5.0) : 0.0;
if(r->order < 2) return;
r->d2fdt2 = (t > 1e-10) ? -a1*4.0/25.0*POW(t, -6.0/5.0) : 0.0;
}
#include "work_mgga_x.c"
const XC(func_info_type) XC(func_info_mgga_x_lta) = {
XC_MGGA_X_LTA,
XC_EXCHANGE,
"Local tau approximation",
XC_FAMILY_MGGA,
"M Ernzerhof and G Scuseria, J. Chem. Phys. 111, 911 (1999)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
MIN_DENS, MIN_GRAD, MIN_TAU, MIN_ZETA,
NULL, NULL,
NULL, NULL, /* this is not an LDA */
work_mgga_x,
};
libxc-2.1.2/src/gga_k_meyer.c 0000664 0001750 0001750 00000003636 12471363260 012760 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_K_MEYER 57 /* Meyer, Wang, and Young */
static inline void
func(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT y, ll, lambda, dy, dlambda, d2lambda;
y = X2S*x/6.0;
ll = LOG((1.0 + y)/ABS(1.0 - y));
lambda = 0.5*(1.0 + (1.0 - y*y)*ll/(2.0*y));
*f = 1.0 + lambda*x*x/(8.0*K_FACTOR_C);
if(order < 1) return;
dy = X2S/6.0;
dlambda = dy*(2.0*y - (1.0 + y*y)*ll)/(4.0*y*y);
*dfdx = (dlambda*x + 2.0*lambda)*x/(8.0*K_FACTOR_C);
if(order < 2) return;
d2lambda = dy*dy*(2.0*y/(y*y - 1.0) + ll)/(2.0*y*y*y);
*d2fdx2 = (d2lambda*x*x + 4.0*dlambda*x + 2.0*lambda)/(8.0*K_FACTOR_C);
}
#define XC_KINETIC_FUNCTIONAL
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_k_meyer) = {
XC_GGA_K_MEYER,
XC_KINETIC,
"Meyer, Wang, and Young",
XC_FAMILY_GGA,
"A Meyer, GC Wang and WH Young, Z. Naturforsch. A 31, 898-903 (1976)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC,
1e-32, 1e-32, 0.0, 1e-32,
NULL,
NULL, NULL,
work_gga_k,
NULL
};
libxc-2.1.2/src/gga_x_vmt.c 0000664 0001750 0001750 00000013204 12471363260 012452 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_VMT_PBE 71 /* Vela, Medel, and Trickey with mu = mu_PBE */
#define XC_GGA_X_VMT_GE 70 /* Vela, Medel, and Trickey with mu = mu_GE */
#define XC_GGA_X_VMT84_PBE 69 /* VMT{8,4} with constraint satisfaction with mu = mu_PBE */
#define XC_GGA_X_VMT84_GE 68 /* VMT{8,4} with constraint satisfaction with mu = mu_GE */
typedef struct{
FLOAT mu;
FLOAT alpha;
} gga_x_vmt_params;
static void
gga_x_vmt_init(XC(func_type) *p)
{
gga_x_vmt_params *params;
assert(p != NULL && p->params == NULL);
p->params = malloc(sizeof(gga_x_vmt_params));
params = (gga_x_vmt_params *) (p->params);
switch(p->info->number){
case XC_GGA_X_VMT_PBE:
params->mu = 0.2195149727645171;
params->alpha = 0.002762;
break;
case XC_GGA_X_VMT_GE:
params->mu = 10.0/81.0;
params->alpha = 0.001553;
break;
case XC_GGA_X_VMT84_PBE:
params->mu = 0.2195149727645171;
params->alpha = 0.000074;
break;
case XC_GGA_X_VMT84_GE:
params->mu = 10.0/81.0;
params->alpha = 0.000023;
break;
default:
fprintf(stderr, "Internal error in gga_x_vmt\n");
exit(1);
}
}
void XC(gga_x_vmt_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT mu, alpha, ss, ss2, ss4, ss6, ss8, ss10, f0, g0, dg0, d2g0, d3g0;
FLOAT num1, den1, dnum1, dden1, d2num1, d2den1, d3num1;
assert(p->params != NULL);
mu = ((gga_x_vmt_params *) (p->params))->mu;
alpha = ((gga_x_vmt_params *) (p->params))->alpha;
ss = X2S*x;
ss2 = ss*ss;
ss4 = ss2*ss2;
f0 = EXP(-alpha*ss2);
num1 = mu*ss2*f0;
den1 = 1.0 + mu*ss2;
*f = 1.0 + num1/den1;
if(p->info->number == XC_GGA_X_VMT84_PBE || p->info->number == XC_GGA_X_VMT84_GE){
g0 = EXP(-alpha*ss4);
*f += (1.0 - g0)/ss2 - 1.0 + g0;
}
if(order < 1) return;
ss6 = ss2*ss4;
dnum1 = -2.0*mu*ss*(alpha*ss2 - 1.0)*f0;
dden1 = 2.0*mu*ss;
*dfdx = DFRACTION(num1, dnum1, den1, dden1);
if(p->info->number == XC_GGA_X_VMT84_PBE || p->info->number == XC_GGA_X_VMT84_GE){
dg0 = -4.0*alpha*ss*ss2*g0;
*dfdx += DFRACTION(1.0 - g0, -dg0, ss2, 2.0*ss) + dg0;
}
*dfdx *= X2S;
if(order < 2) return;
ss8 = ss2*ss6;
ss10 = ss2*ss8;
d2num1 = 2.0*mu*(1.0 + alpha*ss2*(2.0*alpha*ss2 - 5.0))*f0;
d2den1 = 2.0*mu;
*d2fdx2 = D2FRACTION(num1, dnum1, d2num1, den1, dden1, d2den1);
if(p->info->number == XC_GGA_X_VMT84_PBE || p->info->number == XC_GGA_X_VMT84_GE){
d2g0 = 4.0*alpha*ss2*(4.0*alpha*ss4 - 3.0)*g0;
*d2fdx2 += D2FRACTION(1.0 - g0, -dg0, -d2g0, ss2, 2.0*ss, 2.0) + d2g0;
}
*d2fdx2 *= X2S*X2S;
if(order < 3) return;
d3num1 = -4.0*alpha*mu*ss*(6.0 + alpha*ss2*(2.0*alpha*ss2 - 9.0))*f0;
*d3fdx3 = D3FRACTION(num1, dnum1, d2num1, d3num1, den1, dden1, d2den1, 0.0);
if(p->info->number == XC_GGA_X_VMT84_PBE || p->info->number == XC_GGA_X_VMT84_GE){
d3g0 = -8.0*alpha*ss*(3.0 + 2.0*alpha*ss4*(4.0*alpha*ss4 - 9.0))*g0;
*d3fdx3 += D3FRACTION(1.0 - g0, -dg0, -d2g0, -d3g0, ss2, 2.0*ss, 2.0, 0.0) + d3g0;
}
*d3fdx3 *= X2S*X2S*X2S;
}
#define func XC(gga_x_vmt_enhance)
#include "work_gga_x.c"
const XC(func_info_type) XC(func_info_gga_x_vmt_pbe) = {
XC_GGA_X_VMT_PBE,
XC_EXCHANGE,
"Vela, Medel, and Trickey with mu = mu_PBE",
XC_FAMILY_GGA,
"A. Vela, V. Medel, and S. B. Trickey, J. Chem. Phys. 130, 244103 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_vmt_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_vmt_ge) = {
XC_GGA_X_VMT_GE,
XC_EXCHANGE,
"Vela, Medel, and Trickey with mu = mu_GE",
XC_FAMILY_GGA,
"A. Vela, V. Medel, and S. B. Trickey, J. Chem. Phys. 130, 244103 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_vmt_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_vmt84_pbe) = {
XC_GGA_X_VMT84_PBE,
XC_EXCHANGE,
"VMT{8,4} with constraint satisfaction with mu = mu_PBE",
XC_FAMILY_GGA,
"A Vela, JC Pacheco-Kato, JL Gazquez, JM del Campo, and SB Trickey, J. Chem. Phys. 136, 144115 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_vmt_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_vmt84_ge) = {
XC_GGA_X_VMT84_PBE,
XC_EXCHANGE,
"VMT{8,4} with constraint satisfaction with mu = mu_GE",
XC_FAMILY_GGA,
"A Vela, JC Pacheco-Kato, JL Gazquez, JM del Campo, and SB Trickey, J. Chem. Phys. 136, 144115 (2012)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_vmt_init,
NULL, NULL,
work_gga_x,
NULL
};
libxc-2.1.2/src/mgga_c_cc06.c 0000664 0001750 0001750 00000005431 12471363260 012532 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_MGGA_C_CC06 229 /* Cancio and Chou 2006 */
static void
mgga_c_cc06_init(XC(func_type) *p)
{
assert(p != NULL);
p->n_func_aux = 1;
p->func_aux = (XC(func_type) **) malloc(1*sizeof(XC(func_type) *));
p->func_aux[0] = (XC(func_type) *) malloc( sizeof(XC(func_type)));
XC(func_init)(p->func_aux[0], XC_LDA_C_PW, p->nspin);
}
static void
func(const XC(func_type) *pt, XC(mgga_work_c_t) *r)
{
static FLOAT alpha = -0.0007, beta = 0.0080, gamma = 0.026;
XC(lda_work_t) pw;
FLOAT l_cnst, opz, omz, opz13, omz13, opz23, omz23, l, fxc_n, fxc_d, fxc;
FLOAT dldz, dldus[2], dfxc;
pw.order = r->order;
pw.rs[0] = SQRT(r->rs);
pw.rs[1] = r->rs;
pw.rs[2] = r->rs*r->rs;
pw.zeta = r->zeta;
XC(lda_c_pw_func)(pt->func_aux[0], &pw);
l_cnst = CBRT(3.0/(2.0*4.0*M_PI));
l_cnst = l_cnst*l_cnst/2.0;
opz = 1.0 + r->zeta;
omz = 1.0 - r->zeta;
opz13 = CBRT(opz); opz23 = opz13*opz13;
omz13 = CBRT(omz); omz23 = omz13*omz13;
l = l_cnst*(r->us[0]*opz*opz23 + r->us[1]*omz*omz23);
fxc_n = alpha + beta*l;
fxc_d = 1.0 + gamma*l;
fxc = 1.0 + fxc_n/fxc_d;
r->f = pw.zk*fxc;
if(r->order < 1) return;
dldz = l_cnst*(5.0/3.0)*(r->us[0]*opz23 - r->us[1]*omz23);
dldus[0] = l_cnst*opz*opz23;
dldus[1] = l_cnst*omz*omz23;
dfxc = -(alpha*gamma - beta)/(fxc_d*fxc_d);
r->dfdrs = pw.dedrs*fxc;
r->dfdz = pw.dedz *fxc + pw.zk*dfxc*dldz;
r->dfdxt = 0.0;
r->dfdxs[0] = 0.0;
r->dfdxs[1] = 0.0;
r->dfdts[0] = 0.0;
r->dfdts[1] = 0.0;
r->dfdus[0] = pw.zk*dfxc*dldus[0];
r->dfdus[1] = pw.zk*dfxc*dldus[1];
if(r->order < 2) return;
}
#include "work_mgga_c.c"
XC(func_info_type) XC(func_info_mgga_c_cc06) = {
XC_MGGA_C_CC06,
XC_CORRELATION,
"Cancio and Chou 2006",
XC_FAMILY_MGGA,
"AC Cancio, and MY Chou, Phys. Rev. B 74, 081202(R) (2006)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 1e-32, 1e-32,
mgga_c_cc06_init,
NULL, NULL, NULL,
work_mgga_c,
};
libxc-2.1.2/src/gga_x_ssb_sw.c 0000664 0001750 0001750 00000012113 12471363260 013142 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include
#include
#include
#include "util.h"
#define XC_GGA_X_SSB_SW 90 /* Swarta, Sola and Bickelhaupt correction to PBE */
#define XC_GGA_X_SSB 91 /* Swarta, Sola and Bickelhaupt */
#define XC_GGA_X_SSB_D 92 /* Swarta, Sola and Bickelhaupt dispersion */
typedef struct{
FLOAT A, B, C, D, E;
} gga_x_ssb_sw_params;
static void
gga_x_ssb_sw_init(XC(func_type) *p)
{
assert(p!=NULL && p->params == NULL);
p->params = malloc(sizeof(gga_x_ssb_sw_params));
XC(gga_x_ssb_sw_set_params)(p, 1.0515, 0.191458, 0.254443, 0.180708, 4.036674);
}
void
XC(gga_x_ssb_sw_set_params)(XC(func_type) *p, FLOAT A, FLOAT B, FLOAT C, FLOAT D, FLOAT E)
{
gga_x_ssb_sw_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_ssb_sw_params *) (p->params);
params->A = A;
params->B = B;
params->C = C;
params->D = D;
params->E = E;
}
void XC(gga_x_ssb_sw_enhance)
(const XC(func_type) *p, int order, FLOAT x,
FLOAT *f, FLOAT *dfdx, FLOAT *d2fdx2, FLOAT *d3fdx3)
{
FLOAT ss, ss2, ss4, num1, dnum1, d2num1, num2, dnum2, d2num2, den1, dden1, d2den1, den2, dden2, d2den2, d3den2;
gga_x_ssb_sw_params *params;
assert(p != NULL && p->params != NULL);
params = (gga_x_ssb_sw_params *) (p->params);
ss = X2S*x;
ss2 = ss*ss;
ss4 = ss2*ss2;
num1 = params->B*ss2;
den1 = 1.0 + params->C*ss2;
num2 = -params->D*ss2;
den2 = 1.0 + params->E*ss4;
*f = params->A + num1/den1 +num2/den2;
if(order < 1) return;
dnum1 = 2.0*params->B*ss;
dden1 = 2.0*params->C*ss;
dnum2 = -2.0*params->D*ss;
dden2 = 4.0*params->E*ss*ss2;
*dfdx = DFRACTION(num1, dnum1, den1, dden1) + DFRACTION(num2, dnum2, den2, dden2);
*dfdx *= X2S;
if(order < 2) return;
d2num1 = 2.0*params->B;
d2den1 = 2.0*params->C;
d2num2 = -2.0*params->D;
d2den2 = 4.0*3.0*params->E*ss2;
*d2fdx2 = D2FRACTION(num1, dnum1, d2num1, den1, dden1, d2den1) +
D2FRACTION(num2, dnum2, d2num2, den2, dden2, d2den2);
*d2fdx2 *= X2S*X2S;
if(order < 3) return;
d3den2 = 4.0*3.0*2.0*params->E*ss;
*d3fdx3 = D3FRACTION(num1, dnum1, d2num1, 0.0, den1, dden1, d2den1, 0.0) +
D3FRACTION(num2, dnum2, d2num2, 0.0, den2, dden2, d2den2, d3den2);
*d3fdx3 *= X2S*X2S*X2S;
}
#define func XC(gga_x_ssb_sw_enhance)
#include "work_gga_x.c"
static void
gga_x_ssb_init(XC(func_type) *p)
{
static const FLOAT u = -1.205643, F = 0.995010, B = 0.137574;
static int funcs_id [3] = {XC_LDA_X, XC_GGA_X_SSB_SW, XC_GGA_X_KT1};
static FLOAT funcs_coef[3] = {-1.0, 1.0, 1.0};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
XC(gga_x_ssb_sw_set_params)(p->func_aux[1], 1.071769, 0.137574, 0.187883, 0.137574*(1.0 + 1.205643), 6.635315);
XC(gga_x_kt_set_params)(p->func_aux[2], u*F*X_FACTOR_C*B*(X2S*X2S), 0.1);
}
static void
gga_x_ssb_d_init(XC(func_type) *p)
{
static const FLOAT u = -0.749940, F = 0.949488, B = 0.197465;
static int funcs_id [3] = {XC_LDA_X, XC_GGA_X_SSB_SW, XC_GGA_X_KT1};
static FLOAT funcs_coef[3] = {-1.0, 1.0, 1.0};
XC(mix_init)(p, 3, funcs_id, funcs_coef);
XC(gga_x_ssb_sw_set_params)(p->func_aux[1], 1.079966, 0.197465, 0.272729, 0.197465*(1.0 + 0.749940), 5.873645);
XC(gga_x_kt_set_params)(p->func_aux[2], u*F*X_FACTOR_C*B*(X2S*X2S), 0.1);
}
const XC(func_info_type) XC(func_info_gga_x_ssb_sw) = {
XC_GGA_X_SSB_SW,
XC_EXCHANGE,
"Swarta, Sola and Bickelhaupt correction to PBE",
XC_FAMILY_GGA,
"M Swart, M Sola, and FM Bickelhaupt, J. Comp. Meth. Sci. Engin. 9, 69 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC | XC_FLAGS_HAVE_FXC | XC_FLAGS_HAVE_KXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_ssb_sw_init,
NULL, NULL,
work_gga_x,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_ssb) = {
XC_GGA_X_SSB,
XC_EXCHANGE,
"Swarta, Sola and Bickelhaupt",
XC_FAMILY_GGA,
"M Swart, M Sola, and FM Bickelhaupt, J. Chem. Phys. 131, 094103 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_ssb_init,
NULL, NULL,
NULL,
NULL
};
const XC(func_info_type) XC(func_info_gga_x_ssb_d) = {
XC_GGA_X_SSB_D,
XC_EXCHANGE,
"Swarta, Sola and Bickelhaupt dispersion",
XC_FAMILY_GGA,
"M Swart, M Sola, and FM Bickelhaupt, J. Chem. Phys. 131, 094103 (2009)",
XC_FLAGS_3D | XC_FLAGS_HAVE_EXC | XC_FLAGS_HAVE_VXC,
1e-32, 1e-32, 0.0, 1e-32,
gga_x_ssb_d_init,
NULL, NULL,
NULL,
NULL
};
libxc-2.1.2/src/gga_x_am05.c 0000664 0001750 0001750 00000012137 12471363260 012412 0000000 0000000 /*
Copyright (C) 2006-2007 M.A.L. Marques
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
*/
#include