Date: Sun, 5 Apr 2020 01:17:40 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r530734 - in head/science/octopus: . files Message-ID: <202004050117.0351HecW020071@repo.freebsd.org>
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Author: yuri Date: Sun Apr 5 01:17:39 2020 New Revision: 530734 URL: https://svnweb.freebsd.org/changeset/ports/530734 Log: science/octopus: Update 8.4 -> 9.2 Added: head/science/octopus/files/patch-src_basic_varinfo__low.c (contents, props changed) Modified: head/science/octopus/Makefile head/science/octopus/distinfo head/science/octopus/pkg-descr head/science/octopus/pkg-plist Modified: head/science/octopus/Makefile ============================================================================== --- head/science/octopus/Makefile Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/Makefile Sun Apr 5 01:17:39 2020 (r530734) @@ -1,10 +1,9 @@ # $FreeBSD$ PORTNAME= octopus -DISTVERSION= 8.4 -PORTREVISION= 3 +DISTVERSION= 9.2 CATEGORIES= science -MASTER_SITES= https://octopus-code.org/down.php?file=${DISTVERSION}/ +MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Scientific program aimed at the ab initio virtual experimentation @@ -27,7 +26,8 @@ LIB_DEPENDS= libarpack.so:math/arpack-ng \ libwebp.so:graphics/webp \ libxc.so:science/libxc -USES= compiler:c++11-lang fortran gmake jpeg localbase:ldflags +USES= compiler:c++11-lang fortran gmake jpeg localbase:ldflags perl5 shebangfix +SHEBANG_FILES= src/fdep/fortran_dependencies.pl GNU_CONFIGURE= yes CONFIGURE_SHELL= ${PREFIX}/bin/bash USE_CXXSTD= c++11 Modified: head/science/octopus/distinfo ============================================================================== --- head/science/octopus/distinfo Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/distinfo Sun Apr 5 01:17:39 2020 (r530734) @@ -1,3 +1,3 @@ -TIMESTAMP = 1554604037 -SHA256 (octopus-8.4.tar.gz) = a57c605e9813ea7e14c87162e86fa7eb0214d1db3b27dd4fa36915e3acd6a5bb -SIZE (octopus-8.4.tar.gz) = 49322551 +TIMESTAMP = 1586043435 +SHA256 (octopus-9.2.tar.gz) = 85ff24944de5bafdee98acc6fc0b74c80d37b29ab245da6ccc749ab9cc66601a +SIZE (octopus-9.2.tar.gz) = 49783044 Added: head/science/octopus/files/patch-src_basic_varinfo__low.c ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/octopus/files/patch-src_basic_varinfo__low.c Sun Apr 5 01:17:39 2020 (r530734) @@ -0,0 +1,10 @@ +--- src/basic/varinfo_low.c.orig 2020-04-04 23:41:39 UTC ++++ src/basic/varinfo_low.c +@@ -26,6 +26,7 @@ + #include <string.h> + #include <ctype.h> + #include <fortran_types.h> ++#include <sys/types.h> + + #include "string_f.h" /* fortran <-> c string compatibility issues */ + Modified: head/science/octopus/pkg-descr ============================================================================== --- head/science/octopus/pkg-descr Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/pkg-descr Sun Apr 5 01:17:39 2020 (r530734) @@ -9,4 +9,4 @@ For optimal execution performance Octopus is paralleli and can scale to tens of thousands of processors. It also has support for graphical processing units (GPUs) through OpenCL and CUDA. -WWW: http://octopus-code.org/wiki/Main_Page +WWW: https://octopus-code.org/wiki/Main_Page Modified: head/science/octopus/pkg-plist ============================================================================== --- head/science/octopus/pkg-plist Sun Apr 5 00:16:44 2020 (r530733) +++ head/science/octopus/pkg-plist Sun Apr 5 01:17:39 2020 (r530734) @@ -18,12 +18,10 @@ bin/oct-propagation_spectrum bin/oct-run_periodic_table bin/oct-run_regression_test.pl bin/oct-run_testsuite.sh -bin/oct-test bin/oct-vdW_c6 bin/oct-vibrational_spectrum bin/oct-xyz-anim bin/octopus -bin/octopus_mpi include/liboct_parser.h include/string_f.h man/man1/oct-atomic_occupations.1.gz @@ -38,6 +36,7 @@ man/man1/oct-run_testsuite.sh.1.gz man/man1/oct-vibrational_spectrum.1.gz man/man1/oct-xyz-anim.1.gz man/man1/octopus.1.gz +%%DATADIR%%/dftd3/pars.dat %%DATADIR%%/doc/vars/Calculation_Modes.html %%DATADIR%%/doc/vars/Execution.html %%DATADIR%%/doc/vars/Hamiltonian.html @@ -99,173 +98,193 @@ man/man1/octopus.1.gz %%DATADIR%%/opencl/subarray.cl %%DATADIR%%/opencl/trsm.cl %%DATADIR%%/opencl/vpsi.cl -%%DATADIR%%/pseudopotentials/HGH/Ag.hgh -%%DATADIR%%/pseudopotentials/HGH/Ag_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Al.hgh -%%DATADIR%%/pseudopotentials/HGH/Ar.hgh -%%DATADIR%%/pseudopotentials/HGH/As.hgh -%%DATADIR%%/pseudopotentials/HGH/At.hgh -%%DATADIR%%/pseudopotentials/HGH/Au.hgh -%%DATADIR%%/pseudopotentials/HGH/Au_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/B.hgh -%%DATADIR%%/pseudopotentials/HGH/Ba.hgh -%%DATADIR%%/pseudopotentials/HGH/Ba_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Be.hgh -%%DATADIR%%/pseudopotentials/HGH/Be_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Bi.hgh -%%DATADIR%%/pseudopotentials/HGH/Br.hgh -%%DATADIR%%/pseudopotentials/HGH/C.hgh -%%DATADIR%%/pseudopotentials/HGH/Ca.hgh -%%DATADIR%%/pseudopotentials/HGH/Ca_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Cd.hgh -%%DATADIR%%/pseudopotentials/HGH/Cd_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ce_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Cl.hgh -%%DATADIR%%/pseudopotentials/HGH/Co.hgh -%%DATADIR%%/pseudopotentials/HGH/Co_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Cr.hgh -%%DATADIR%%/pseudopotentials/HGH/Cr_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Cs.hgh -%%DATADIR%%/pseudopotentials/HGH/Cs_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Cu.hgh -%%DATADIR%%/pseudopotentials/HGH/Cu_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Dy_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Er_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Eu_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/F.hgh -%%DATADIR%%/pseudopotentials/HGH/Fe.hgh -%%DATADIR%%/pseudopotentials/HGH/Fe_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ga.hgh -%%DATADIR%%/pseudopotentials/HGH/Ga_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Gd_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ge.hgh -%%DATADIR%%/pseudopotentials/HGH/H.hgh -%%DATADIR%%/pseudopotentials/HGH/He.hgh -%%DATADIR%%/pseudopotentials/HGH/Hf_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Hg.hgh -%%DATADIR%%/pseudopotentials/HGH/Hg_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ho_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/I.hgh -%%DATADIR%%/pseudopotentials/HGH/In.hgh -%%DATADIR%%/pseudopotentials/HGH/In_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ir.hgh -%%DATADIR%%/pseudopotentials/HGH/Ir_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/K.hgh -%%DATADIR%%/pseudopotentials/HGH/K_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Kr.hgh -%%DATADIR%%/pseudopotentials/HGH/La_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Li.hgh -%%DATADIR%%/pseudopotentials/HGH/Li_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Lu_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Mg.hgh -%%DATADIR%%/pseudopotentials/HGH/Mg_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Mn.hgh -%%DATADIR%%/pseudopotentials/HGH/Mn_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Mo.hgh -%%DATADIR%%/pseudopotentials/HGH/Mo_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/N.hgh -%%DATADIR%%/pseudopotentials/HGH/Na.hgh -%%DATADIR%%/pseudopotentials/HGH/Na_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Nb.hgh -%%DATADIR%%/pseudopotentials/HGH/Nb_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Nd_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ne.hgh -%%DATADIR%%/pseudopotentials/HGH/Ni.hgh -%%DATADIR%%/pseudopotentials/HGH/Ni_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/O.hgh -%%DATADIR%%/pseudopotentials/HGH/Os.hgh -%%DATADIR%%/pseudopotentials/HGH/Os_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/P.hgh -%%DATADIR%%/pseudopotentials/HGH/Pb.hgh -%%DATADIR%%/pseudopotentials/HGH/Pd.hgh -%%DATADIR%%/pseudopotentials/HGH/Pd_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Pm_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Po.hgh -%%DATADIR%%/pseudopotentials/HGH/Pr_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Pt.hgh -%%DATADIR%%/pseudopotentials/HGH/Pt_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Rb.hgh -%%DATADIR%%/pseudopotentials/HGH/Rb_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Re.hgh -%%DATADIR%%/pseudopotentials/HGH/Re_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Rh.hgh -%%DATADIR%%/pseudopotentials/HGH/Rh_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Rn.hgh -%%DATADIR%%/pseudopotentials/HGH/Ru.hgh -%%DATADIR%%/pseudopotentials/HGH/Ru_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/S.hgh -%%DATADIR%%/pseudopotentials/HGH/Sb.hgh -%%DATADIR%%/pseudopotentials/HGH/Sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Sc_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Se.hgh -%%DATADIR%%/pseudopotentials/HGH/Si.hgh -%%DATADIR%%/pseudopotentials/HGH/Sm_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Sn.hgh -%%DATADIR%%/pseudopotentials/HGH/Sr.hgh -%%DATADIR%%/pseudopotentials/HGH/Sr_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Ta.hgh -%%DATADIR%%/pseudopotentials/HGH/Ta_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Tb_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Tc.hgh -%%DATADIR%%/pseudopotentials/HGH/Tc_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Te.hgh -%%DATADIR%%/pseudopotentials/HGH/Ti.hgh -%%DATADIR%%/pseudopotentials/HGH/Ti_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Tl.hgh -%%DATADIR%%/pseudopotentials/HGH/Tl_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Tm_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/V.hgh -%%DATADIR%%/pseudopotentials/HGH/V_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/W.hgh -%%DATADIR%%/pseudopotentials/HGH/W_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Xe.hgh -%%DATADIR%%/pseudopotentials/HGH/Y.hgh -%%DATADIR%%/pseudopotentials/HGH/Y_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Yb_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Zn.hgh -%%DATADIR%%/pseudopotentials/HGH/Zn_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/Zr.hgh -%%DATADIR%%/pseudopotentials/HGH/Zr_sc.hgh -%%DATADIR%%/pseudopotentials/HGH/configurations +%%DATADIR%%/pseudopotentials/HGH/lda/Ag.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Al.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ar.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/As.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/At.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Au.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/B.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ba.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Be.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Bi.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Br.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/C.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/C.hgh.spacing +%%DATADIR%%/pseudopotentials/HGH/lda/Ca.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Cd.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Cl.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Co.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Cr.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Cs.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Cu.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/D.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/F.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Fe.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ga.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ge.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/H.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/He.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/He.hgh.spacing +%%DATADIR%%/pseudopotentials/HGH/lda/Hg.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/I.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/In.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ir.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/K.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Kr.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Li.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Mg.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Mn.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Mo.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/N.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/N.hgh.spacing +%%DATADIR%%/pseudopotentials/HGH/lda/Na.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Nb.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ne.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ni.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/O.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Os.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/P.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Pb.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Pd.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Po.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Pt.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Rb.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Re.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Rh.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Rn.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ru.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/S.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Sb.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Se.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Si.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Sn.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Sr.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/T.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ta.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Tc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Te.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Ti.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Tl.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/V.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/W.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Xe.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Y.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Zn.hgh +%%DATADIR%%/pseudopotentials/HGH/lda/Zr.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ag_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Au_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ba_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Be_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ca_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Cd_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ce_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Co_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Cr_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Cs_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Cu_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Dy_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Er_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Eu_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Fe_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ga_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Gd_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Hf_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Hg_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ho_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/In_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ir_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/K_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/La_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Li_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Lu_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Mg_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Mn_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Mo_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Na_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Nb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Nd_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ni_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Os_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pd_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pm_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pr_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Pt_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Rb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Re_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Rh_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ru_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Sc_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Sm_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Sr_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ta_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tc_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Ti_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tl_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Tm_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/V_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/W_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Y_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Yb_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Zn_sc.hgh +%%DATADIR%%/pseudopotentials/HGH/lda_sc/Zr_sc.hgh %%DATADIR%%/pseudopotentials/PSF/C.psf +%%DATADIR%%/pseudopotentials/PSF/C.psf.spacing %%DATADIR%%/pseudopotentials/PSF/Cd.psf +%%DATADIR%%/pseudopotentials/PSF/D.psf %%DATADIR%%/pseudopotentials/PSF/H.psf %%DATADIR%%/pseudopotentials/PSF/Li.psf %%DATADIR%%/pseudopotentials/PSF/N.psf %%DATADIR%%/pseudopotentials/PSF/Na.psf %%DATADIR%%/pseudopotentials/PSF/O.psf +%%DATADIR%%/pseudopotentials/PSF/O.psf.spacing %%DATADIR%%/pseudopotentials/PSF/S.psf +%%DATADIR%%/pseudopotentials/PSF/S.psf.spacing %%DATADIR%%/pseudopotentials/PSF/Se.psf +%%DATADIR%%/pseudopotentials/PSF/Se.psf.spacing %%DATADIR%%/pseudopotentials/PSF/Si.psf +%%DATADIR%%/pseudopotentials/PSF/T.psf %%DATADIR%%/pseudopotentials/PSF/Ti.psf +%%DATADIR%%/pseudopotentials/PSF/set_defaults %%DATADIR%%/pseudopotentials/elements.dat -%%DATADIR%%/pseudopotentials/hgh_lda.set -%%DATADIR%%/pseudopotentials/hscv_lda.set -%%DATADIR%%/pseudopotentials/hscv_pbe.set %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ag.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Al.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Al.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ar.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ar.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/As.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Au.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/B.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/B.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ba.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Be.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Be.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Bi.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Br.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/C.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/C.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ca.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cd.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cl.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cl.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Co.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/D.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/D.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/F.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/F.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ga.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ga.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ge.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/H.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/H.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/He.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/He.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Hf.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Hg.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/I.upf @@ -275,16 +294,21 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Kr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/La.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Li.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Li.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Lu.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mg.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Mo.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/N.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/N.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Na.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Na.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Nb.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ne.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ne.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ni.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/O.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/O.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Os.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/P.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Pb.upf @@ -297,12 +321,16 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Rn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ru.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/S.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/S.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sb.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Se.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Si.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Si.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/T.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/T.upf.spacing %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Te.upf @@ -332,6 +360,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Ga.upf @@ -375,6 +404,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Te.upf @@ -404,6 +434,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ga.upf @@ -447,6 +478,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Te.upf @@ -476,6 +508,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Cs.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Ga.upf @@ -519,6 +552,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Te.upf @@ -546,6 +580,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cl.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ga.upf @@ -583,6 +618,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Te.upf @@ -609,6 +645,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Cl.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Cr.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Cu.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/D.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/F.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Fe.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Ga.upf @@ -645,6 +682,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Si.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Sn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Sr.upf +%%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/T.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Ta.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Tc.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Te.upf @@ -656,12 +694,6 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Y.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Zn.upf %%DATADIR%%/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Zr.upf -%%DATADIR%%/pseudopotentials/pseudodojo_lda.set -%%DATADIR%%/pseudopotentials/pseudodojo_lda_stringent.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbe.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbe_stringent.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbesol.set -%%DATADIR%%/pseudopotentials/pseudodojo_pbesol_stringent.set %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Ac_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Ag_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Al_HSCV_LDA-1.0.xml @@ -682,6 +714,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Cr_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Cs_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Cu_HSCV_LDA-1.0.xml +%%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/D_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Dy_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Er_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Eu_HSCV_LDA-1.0.xml @@ -739,6 +772,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Sm_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Sn_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Sr_HSCV_LDA-1.0.xml +%%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/T_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Ta_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Tb_HSCV_LDA-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/lda/Tc_HSCV_LDA-1.0.xml @@ -833,6 +867,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Sm_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Sn_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Sr_HSCV_PBE-1.0.xml +%%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/T_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Ta_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Tb_HSCV_PBE-1.0.xml %%DATADIR%%/pseudopotentials/quantum-simulation.org/hscv/pbe/Tc_HSCV_PBE-1.0.xml @@ -861,6 +896,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Br_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/COPYING %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/C_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/C_ONCV_PBE-1.0.upf.spacing %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ca_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cd_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cl_ONCV_PBE-1.1.upf @@ -868,11 +904,13 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cr_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cs_ONCV_PBE-1.1.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Cu_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/D_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/F_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Fe_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ga_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ge_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/H_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/H_ONCV_PBE-1.0.upf.spacing %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/He_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Hf_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Hg_ONCV_PBE-1.0.upf @@ -887,6 +925,7 @@ man/man1/octopus.1.gz %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Mn_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Mo_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/N_ONCV_PBE-1.0.upf +%%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/N_ONCV_PBE-1.0.upf.spacing %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Na_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Nb_ONCV_PBE-1.0.upf %%DATADIR%%/pseudopotentials/quantum-simulation.org/sg15/Ne_ONCV_PBE-1.0.upf @@ -909,6 +948,7 @@ 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%%DATADIR%%/testsuite/lda_u/07-noncollinear.test %%DATADIR%%/testsuite/lda_u/08-loewdin.01-Si.inp %%DATADIR%%/testsuite/lda_u/08-loewdin.test +%%DATADIR%%/testsuite/lda_u/09-basis_from_states.01-lda.inp +%%DATADIR%%/testsuite/lda_u/09-basis_from_states.02-acbn0.inp +%%DATADIR%%/testsuite/lda_u/09-basis_from_states.fhi +%%DATADIR%%/testsuite/lda_u/09-basis_from_states.test %%DATADIR%%/testsuite/linear_response/01-casida.01-gs.inp %%DATADIR%%/testsuite/linear_response/01-casida.012-vib_modes.inp %%DATADIR%%/testsuite/linear_response/01-casida.02-unocc.inp @@ -1395,6 +1357,7 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/linear_response/02-h2o_pol_lr.02_h2o_dyn_pol.inp %%DATADIR%%/testsuite/linear_response/02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp %%DATADIR%%/testsuite/linear_response/02-h2o_pol_lr.04_h2o_susc.inp +%%DATADIR%%/testsuite/linear_response/02-h2o_pol_lr.05_h2o_magn_opt.inp %%DATADIR%%/testsuite/linear_response/02-h2o_pol_lr.test %%DATADIR%%/testsuite/linear_response/03-vdw_sternheimer.01-ground_state.inp %%DATADIR%%/testsuite/linear_response/03-vdw_sternheimer.02-vdw.inp @@ -1463,6 +1426,7 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/optimal_control/12-spintarget.02-oct.inp %%DATADIR%%/testsuite/optimal_control/12-spintarget.test %%DATADIR%%/testsuite/optimal_control/13-box-nlopt.03-bobyqa.inp +%%DATADIR%%/testsuite/optimal_control/13-box-nlopt.04-lbfgs.inp %%DATADIR%%/testsuite/optimal_control/13-box-nlopt.test %%DATADIR%%/testsuite/periodic_systems/01-free_electrons.01-ground_state.inp %%DATADIR%%/testsuite/periodic_systems/01-free_electrons.02-unocc.inp @@ -1478,6 +1442,8 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/periodic_systems/04-silicon.01-gs.inp %%DATADIR%%/testsuite/periodic_systems/04-silicon.02-kdotp.inp %%DATADIR%%/testsuite/periodic_systems/04-silicon.03-emresp.inp +%%DATADIR%%/testsuite/periodic_systems/04-silicon.04-emresp_mo.inp +%%DATADIR%%/testsuite/periodic_systems/04-silicon.05-emresp_magn.inp %%DATADIR%%/testsuite/periodic_systems/04-silicon.test %%DATADIR%%/testsuite/periodic_systems/05-lithium.01-gs.inp %%DATADIR%%/testsuite/periodic_systems/05-lithium.02-td.inp @@ -1487,6 +1453,8 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/periodic_systems/06-h2o_pol_lr.01_gs.inp %%DATADIR%%/testsuite/periodic_systems/06-h2o_pol_lr.02_kdotp.inp %%DATADIR%%/testsuite/periodic_systems/06-h2o_pol_lr.03_emresp.inp +%%DATADIR%%/testsuite/periodic_systems/06-h2o_pol_lr.04_emresp_mo.inp +%%DATADIR%%/testsuite/periodic_systems/06-h2o_pol_lr.05_emresp_susc.inp %%DATADIR%%/testsuite/periodic_systems/06-h2o_pol_lr.test %%DATADIR%%/testsuite/periodic_systems/07-tb09.01-gs_symm.inp %%DATADIR%%/testsuite/periodic_systems/07-tb09.02-gs_nosymm.inp @@ -1500,15 +1468,19 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/periodic_systems/10-berkeleygw.02-unocc.inp %%DATADIR%%/testsuite/periodic_systems/10-berkeleygw.test %%DATADIR%%/testsuite/periodic_systems/11-silicon_force.01-gs.inp +%%DATADIR%%/testsuite/periodic_systems/11-silicon_force.02-nlcc.inp %%DATADIR%%/testsuite/periodic_systems/11-silicon_force.test %%DATADIR%%/testsuite/periodic_systems/12-boron_nitride.01-gs.inp +%%DATADIR%%/testsuite/periodic_systems/12-boron_nitride.02-gs_gamma.inp %%DATADIR%%/testsuite/periodic_systems/12-boron_nitride.test %%DATADIR%%/testsuite/periodic_systems/13-primitive.01-diamond.inp %%DATADIR%%/testsuite/periodic_systems/13-primitive.02-graphene.inp %%DATADIR%%/testsuite/periodic_systems/13-primitive.test -%%DATADIR%%/testsuite/periodic_systems/14-silicon_doubleshift.01-gs.inp -%%DATADIR%%/testsuite/periodic_systems/14-silicon_doubleshift.02-td.inp -%%DATADIR%%/testsuite/periodic_systems/14-silicon_doubleshift.test +%%DATADIR%%/testsuite/periodic_systems/14-silicon_shifts.01-gs.inp +%%DATADIR%%/testsuite/periodic_systems/14-silicon_shifts.02-td.inp +%%DATADIR%%/testsuite/periodic_systems/14-silicon_shifts.03-delayed_kick.inp +%%DATADIR%%/testsuite/periodic_systems/14-silicon_shifts.04-dielectric_function.inp +%%DATADIR%%/testsuite/periodic_systems/14-silicon_shifts.test %%DATADIR%%/testsuite/periodic_systems/15-bandstructure.01-gs.inp %%DATADIR%%/testsuite/periodic_systems/15-bandstructure.02-unocc.inp %%DATADIR%%/testsuite/periodic_systems/15-bandstructure.test @@ -1517,6 +1489,9 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/periodic_systems/16-sodium_chain_cylinder.03-ground_state_disp.inp %%DATADIR%%/testsuite/periodic_systems/16-sodium_chain_cylinder.04-unocc_disp.inp %%DATADIR%%/testsuite/periodic_systems/16-sodium_chain_cylinder.test +%%DATADIR%%/testsuite/periodic_systems/17-aluminium.01-gs.inp +%%DATADIR%%/testsuite/periodic_systems/17-aluminium.02-td.inp +%%DATADIR%%/testsuite/periodic_systems/17-aluminium.test %%DATADIR%%/testsuite/photo_electron/01-h1d_lin.01-mask.inp %%DATADIR%%/testsuite/photo_electron/01-h1d_lin.02-ba.inp %%DATADIR%%/testsuite/photo_electron/01-h1d_lin.test @@ -1571,6 +1546,18 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/pseudopotentials/12_mix_and_match.test %%DATADIR%%/testsuite/pseudopotentials/13-U235.01-gs.inp %%DATADIR%%/testsuite/pseudopotentials/13-U235.test +%%DATADIR%%/testsuite/pseudopotentials/14-carbon_dojo_psp8.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/14-carbon_dojo_psp8.pseudo.psp8 +%%DATADIR%%/testsuite/pseudopotentials/14-carbon_dojo_psp8.test +%%DATADIR%%/testsuite/pseudopotentials/15-calcium_psp8_sic.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/15-calcium_psp8_sic.20ca_sic.drh +%%DATADIR%%/testsuite/pseudopotentials/15-calcium_psp8_sic.test +%%DATADIR%%/testsuite/pseudopotentials/16-platinum_psp8.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/16-platinum_psp8.78_Pt_r.oncvpsp.psp8 +%%DATADIR%%/testsuite/pseudopotentials/16-platinum_psp8.test +%%DATADIR%%/testsuite/pseudopotentials/17-lithium_automatic.01-gs.inp +%%DATADIR%%/testsuite/pseudopotentials/17-lithium_automatic.02-gs_tol.inp +%%DATADIR%%/testsuite/pseudopotentials/17-lithium_automatic.test %%DATADIR%%/testsuite/real_time/01-propagators.01-gs.inp %%DATADIR%%/testsuite/real_time/01-propagators.02-expmid.inp %%DATADIR%%/testsuite/real_time/01-propagators.03-etrs.inp @@ -1644,6 +1631,8 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/real_time/14-absorption-spinors.test %%DATADIR%%/testsuite/real_time/15-crank_nicolson.01-gs.inp %%DATADIR%%/testsuite/real_time/15-crank_nicolson.02-kick.inp +%%DATADIR%%/testsuite/real_time/15-crank_nicolson.03-freeze_domains.inp +%%DATADIR%%/testsuite/real_time/15-crank_nicolson.04-freeze_states.inp %%DATADIR%%/testsuite/real_time/15-crank_nicolson.test %%DATADIR%%/testsuite/real_time/16-sparskit.01-gs.inp %%DATADIR%%/testsuite/real_time/16-sparskit.02-kick.inp @@ -1904,6 +1893,30 @@ man/man1/octopus.1.gz %%DATADIR%%/testsuite/symmetries/08-symmetrization_mgga.test %%DATADIR%%/testsuite/symmetries/09-symmetrization_gga.01-spg143_sym.inp %%DATADIR%%/testsuite/symmetries/09-symmetrization_gga.test +%%DATADIR%%/testsuite/tutorials/01-octopus_basics-getting_started.01-H_atom.inp +%%DATADIR%%/testsuite/tutorials/01-octopus_basics-getting_started.02-H_atom_spin.inp +%%DATADIR%%/testsuite/tutorials/01-octopus_basics-getting_started.03-H_atom_independent.inp +%%DATADIR%%/testsuite/tutorials/01-octopus_basics-getting_started.test +%%DATADIR%%/testsuite/tutorials/02-octopus_basics-basic_input_options.01-N_atom.inp +%%DATADIR%%/testsuite/tutorials/02-octopus_basics-basic_input_options.test +%%DATADIR%%/testsuite/tutorials/03-octopus_basics-total_energy_convergence.01-N_atom.inp +%%DATADIR%%/testsuite/tutorials/03-octopus_basics-total_energy_convergence.02-methane.inp +%%DATADIR%%/testsuite/tutorials/03-octopus_basics-total_energy_convergence.test +%%DATADIR%%/testsuite/tutorials/04-octopus_basics-visualization.01-benzene.inp +%%DATADIR%%/testsuite/tutorials/04-octopus_basics-visualization.test +%%DATADIR%%/testsuite/tutorials/05-octopus_basics-centering_a_geometry.01-tAB.inp +%%DATADIR%%/testsuite/tutorials/05-octopus_basics-centering_a_geometry.test +%%DATADIR%%/testsuite/tutorials/06-octopus_basics-periodic_systems.01-silicon.inp +%%DATADIR%%/testsuite/tutorials/06-octopus_basics-periodic_systems.02-silicon_converged.inp +%%DATADIR%%/testsuite/tutorials/06-octopus_basics-periodic_systems.03-bandstructure.inp +%%DATADIR%%/testsuite/tutorials/06-octopus_basics-periodic_systems.test +%%DATADIR%%/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.01-gs.inp +%%DATADIR%%/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.02-td.inp +%%DATADIR%%/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.03-td_laser.inp +%%DATADIR%%/testsuite/tutorials/07-octopus_basics-time_dependent_propagation.test +%%DATADIR%%/testsuite/tutorials/N.xyz +%%DATADIR%%/testsuite/tutorials/benzene.xyz +%%DATADIR%%/testsuite/tutorials/tAB.xyz %%DATADIR%%/util/README %%DATADIR%%/util/display_mesh_index.gp %%DATADIR%%/util/mf.cfg
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