"Fossies" - the Fresh Open Source Software Archive  

Source code changes report for "abinit" between the packages
abinit-9.0.3.tar.gz and abinit-9.0.4.tar.gz

About: ABINIT implements Density Functional Theory (DFT), using a plane wave basis set and pseudopotentials, to compute the total energy, charge density and electronic structure of materials ranging from molecules to surfaces to solids.

Summary:

The "abinit" source code changed by about 0.1% and now consists of 6076 regular files (+4) and 308 directories.

Related Informations:

See ChangeLog, NEWS, RELNOTES (abinit 9.0.4).

Changes In Files (According File Type):

File TypeTotalAddedRemovedChanged
Header file 21 0 0 0
C program 49 0 0 0
C++ program 2 0 0 0
Fortran program 731 1 1 49
Objective-C program 7 0 0 0
Perl module 1 0 0 0
Perl program 7 0 0 0
Python program 142 0 0 2
Shell program 32 0 1 6
Automake file 209 0 0 181
CoffeeScript file 5 0 0 0
Configuration file 79 0 0 1
Initialization file 1 0 0 0
JavaScript file 4 0 0 0
JSON file 2 0 0 0
M4 macro file 70 0 0 9
Makefile 1 0 0 1
Man page 5 0 0 0
Manifest file 1 0 0 0
Module-Definition file 1 0 0 0
Pkg-config file 1 0 0 0
SGML document 96 1 0 3
XML document 107 0 0 0
BibTeX document 1 0 0 1
Configure script 1 0 0 1
CSS style sheet 3 0 0 0
Data List 11 0 0 3
Git file 1 0 0 0
HTML page 64 0 0 0
Include file 1 0 0 0
Log file 1 0 0 0
Message file 21 0 0 0
Molecule spec file 1 0 0 0
OpenOffice document 1 0 0 0
Parameter file 1 0 0 0
PostScript file 8 0 0 0
Resource file 1 0 0 0
TeX document 52 0 0 0
YAML file 4 0 0 0
Data file 1462 2 0 131
Icon 1 0 0 0
Image file 184 0 0 0
Vector Image file 22 0 0 0
Directory 308 0 0 0
Archive 46 0 0 0
Change log 12 0 0 0
Information file 18 0 0 1
License 7 0 0 0
Readme file 90 0 0 0
Text file 2481 2 0 62
Other 9 0 0 0
Total Files638662451



Fortran Programs (51 of 731):

NameStatusDeltaVisual Diff
shared/common/src/14_hidewrite/m_cppopts_dumper.F90 changed 0.1% diff
shared/common/src/14_hidewrite/m_specialmsg.F90 changed 0.1% diff
shared/libpaw/src/m_paw_ij.F90 changed 0.1% diff
shared/libpaw/src/m_pawdij.F90 changed 0.4% diff
shared/libpaw/src/m_pawtab.F90 changed 0.2% diff
src/41_geometry/m_ewald.F90 changed 6.0% diff
src/45_geomoptim/m_pred_isothermal.F90 changed 0.1% diff
src/57_iovars/m_chkinp.F90 changed 1.4% diff
src/57_iovars/m_out_acknowl.F90 changed 0.6% diff
src/65_paw/m_paw_correlations.F90 changed 2.4% diff
src/65_paw/m_paw_denpot.F90 changed 0.7% diff
src/65_paw/m_paw_dmft.F90 changed 2.0% diff
src/65_paw/m_paw_hr.F90 changed 2.0% diff
src/65_paw/m_paw_nhat.F90 changed 0.2% diff
src/65_paw/m_paw_tools.F90 changed 0.3% diff
src/66_nonlocal/m_vkbr.F90 changed 0.3% diff
src/67_common/m_common.F90 changed 0.1% diff
src/68_dmft/m_datafordmft.F90 changed 2.0% diff
src/68_dmft/m_dmft.F90 changed 7.4% diff
src/68_dmft/m_energy.F90 changed 16.2% diff
src/68_dmft/m_forctqmc.F90 changed 1.3% diff
src/68_dmft/m_green.F90 changed 1.2% diff
src/68_dmft/m_hubbard_one.F90 changed 1.7% diff
src/68_dmft/m_ldau_self.F90 renamed 8.4% diff
src/68_dmft/m_dftu_self.F90
src/68_dmft/m_matlu.F90 changed 0.1% diff
src/68_dmft/m_oper.F90 changed 1.4% diff
src/68_dmft/m_self.F90 changed 0.5% diff
src/69_wfdesc/m_wfd.F90 changed 0.2% diff
src/69_wfdesc/m_wfd_optic.F90 changed 2.2% diff
src/70_gw/m_chi0.F90 changed 0.1% diff
src/70_gw/m_plowannier.F90 changed 0.05% diff
src/70_gw/m_qparticles.F90 changed 6.4% diff
src/70_gw/m_sigma.F90 changed 2.0% diff
src/70_gw/m_vhxc_me.F90 changed 0.6% diff
src/71_bse/m_exc_build.F90 changed 0.3% diff
src/71_bse/m_exc_spectra.F90 changed 0.2% diff
src/71_bse/m_haydock.F90 changed 0.1% diff
src/71_wannier/m_mlwfovlp_qp.F90 changed 7.3% diff
src/72_response/m_ddb.F90 changed 0.4% diff
src/77_ddb/m_ddb_flexo.F90 changed 3.3% diff
src/79_seqpar_mpi/m_dfpt_lw.F90 changed 0.5% diff
src/79_seqpar_mpi/m_vtorho.F90 changed 0.6% diff
src/94_scfcv/m_outscfcv.F90 changed 0.5% diff
src/95_drive/m_bethe_salpeter.F90 changed 0.9% diff
src/95_drive/m_gstate.F90 changed 0.1% diff
src/95_drive/m_precpred_1geo.F90 changed 0.4% diff
src/95_drive/m_screening_driver.F90 changed 0.4% diff
src/95_drive/m_sigma_driver.F90 changed 1.4% diff
src/95_drive/m_wfk_analyze.F90 changed 0.2% diff
src/98_main/anaddb.F90 changed 0.4% diff

Python Programs (2 of 142):

NameStatusDeltaVisual Diff
tests/__init__.py changed 0.1% diff
tests/v9/__init__.py changed 3.8% diff

Shell Programs (7 of 32):

NameStatusDeltaVisual Diff
config/gnu/compile removed
config/gnu/config.guess changed 40.0% diff
config/gnu/config.sub changed 19.1% diff
config/gnu/depcomp changed 1.1% diff
config/gnu/install-sh changed 45.6% diff
config/gnu/missing changed 6.2% diff
config/local/autotools.sh changed 59.4% diff

Automake Files (181 of 209):

NameStatusDeltaVisual Diff
abichecks/Makefile.am changed 1.9% diff
abichecks/Makefile.in changed 1.9% diff
config/split/make-src-symlinks.in changed 4.1% diff
configure.ac changed 0.2% diff
doc/build/config-examples/abiref_nag_7.0_openmpi.ac changed 0.8% diff
doc/configure.ac changed 1.1% diff
doc/Makefile.am changed 0.3% diff
doc/Makefile.in changed 1.3% diff
Makefile.am changed 0.1% diff
Makefile.in changed 1.6% diff
shared/common/Makefile.am changed 20.5% diff
shared/common/Makefile.in changed 1.8% diff
shared/common/src/02_clib/Makefile.am changed 4.7% diff
shared/common/src/02_clib/Makefile.in changed 7.0% diff
shared/common/src/10_defs/Makefile.am changed 5.3% diff
shared/common/src/10_defs/Makefile.in changed 1.8% diff
shared/common/src/11_memory_mpi/Makefile.am changed 5.5% diff
shared/common/src/11_memory_mpi/Makefile.in changed 1.8% diff
shared/common/src/12_hide_mpi/Makefile.am changed 3.6% diff
shared/common/src/12_hide_mpi/Makefile.in changed 1.8% diff
shared/common/src/14_hidewrite/Makefile.am changed 3.1% diff
shared/common/src/14_hidewrite/Makefile.in changed 1.8% diff
shared/common/src/16_hideleave/Makefile.am changed 4.5% diff
shared/common/src/16_hideleave/Makefile.in changed 1.8% diff
shared/common/src/17_gpu_toolbox/Makefile.am changed 2.9% diff
shared/common/src/17_gpu_toolbox/Makefile.in changed 1.7% diff
shared/common/src/17_libtetra_ext/Makefile.am changed 2.2% diff
shared/common/src/17_libtetra_ext/Makefile.in changed 1.7% diff
shared/common/src/17_yaml_out/Makefile.am changed 4.2% diff
shared/common/src/17_yaml_out/Makefile.in changed 4.3% diff
shared/common/src/18_timing/Makefile.am changed 4.8% diff
shared/common/src/18_timing/Makefile.in changed 1.8% diff
shared/common/src/21_hashfuncs/Makefile.am changed 2.3% diff
shared/common/src/21_hashfuncs/Makefile.in changed 1.7% diff
shared/common/src/27_toolbox_oop/Makefile.am changed 4.2% diff
shared/common/src/27_toolbox_oop/Makefile.in changed 1.7% diff
shared/common/src/28_numeric_noabirule/Makefile.am changed 1.5% diff
shared/common/src/28_numeric_noabirule/Makefile.in changed 1.7% diff
shared/common/src/29_kpoints/Makefile.am changed 4.5% diff
shared/common/src/29_kpoints/Makefile.in changed 1.8% diff
shared/common/src/32_util/Makefile.am changed 2.5% diff
shared/common/src/32_util/Makefile.in changed 1.8% diff
shared/common/src/33_xc_lowlevel/Makefile.am changed 3.5% diff
shared/common/src/33_xc_lowlevel/Makefile.in changed 4.2% diff
shared/common/src/incs/Makefile.am changed 14.6% diff
shared/common/src/incs/Makefile.in changed 1.9% diff
shared/common/src/Makefile.am changed 3.3% diff
shared/common/src/Makefile.in changed 1.7% diff
shared/common/src/mods/Makefile.am changed 16.4% diff
shared/common/src/mods/Makefile.in changed 1.9% diff
shared/libpaw/incs/Makefile.am changed 18.3% diff
shared/libpaw/incs/Makefile.in changed 1.9% diff
shared/libpaw/Makefile.am changed 4.3% diff
shared/libpaw/Makefile.in changed 1.8% diff
shared/libpaw/mods/Makefile.am changed 16.4% diff
shared/libpaw/mods/Makefile.in changed 1.9% diff
shared/libpaw/src/Makefile.am changed 1.5% diff
shared/libpaw/src/Makefile.in changed 4.0% diff
shared/Makefile.am changed 15.6% diff
shared/Makefile.in changed 1.7% diff
src/41_geometry/Makefile.am changed 2.7% diff
src/41_geometry/Makefile.in changed 1.7% diff
src/42_nlstrain/Makefile.am changed 4.1% diff
src/42_nlstrain/Makefile.in changed 1.7% diff
src/42_parser/Makefile.am changed 5.2% diff
src/42_parser/Makefile.in changed 1.8% diff
src/43_ptgroups/Makefile.am changed 1.2% diff
src/43_ptgroups/Makefile.in changed 1.6% diff
src/43_wvl_wrappers/Makefile.am changed 3.1% diff
src/43_wvl_wrappers/Makefile.in changed 1.7% diff
src/44_abitools/Makefile.am changed 3.4% diff
src/44_abitools/Makefile.in changed 1.7% diff
src/44_abitypes_defs/Makefile.am changed 2.5% diff
src/44_abitypes_defs/Makefile.in changed 1.7% diff
src/45_geomoptim/Makefile.am changed 1.2% diff
src/45_geomoptim/Makefile.in changed 1.6% diff
src/45_xgTools/Makefile.am changed 4.2% diff
src/45_xgTools/Makefile.in changed 1.8% diff
src/46_diago/Makefile.am changed 5.3% diff
src/46_diago/Makefile.in changed 1.8% diff
src/49_gw_toolbox_oop/Makefile.am changed 4.1% diff
src/49_gw_toolbox_oop/Makefile.in changed 1.7% diff
src/51_manage_mpi/Makefile.am changed 3.8% diff
src/51_manage_mpi/Makefile.in changed 1.7% diff
src/52_fft_mpi_noabirule/Makefile.am changed 2.7% diff
src/52_fft_mpi_noabirule/Makefile.in changed 1.7% diff
src/52_manage_cuda/Makefile.am changed 1.9% diff
src/52_manage_cuda/Makefile.in changed 1.7% diff
src/53_ffts/Makefile.am changed 4.2% diff
src/53_ffts/Makefile.in changed 1.8% diff
src/54_spacepar/Makefile.am changed 4.5% diff
src/54_spacepar/Makefile.in changed 1.8% diff
src/55_abiutil/Makefile.am changed 3.9% diff
src/55_abiutil/Makefile.in changed 1.8% diff
src/56_io_mpi/Makefile.am changed 3.7% diff
src/56_io_mpi/Makefile.in changed 1.7% diff
src/56_mixing/Makefile.am changed 5.2% diff
src/56_mixing/Makefile.in changed 1.8% diff
src/56_recipspace/Makefile.am changed 2.5% diff
src/56_recipspace/Makefile.in changed 1.7% diff
src/56_xc/Makefile.am changed 2.4% diff
src/56_xc/Makefile.in changed 1.7% diff
src/57_iopsp_parser/Makefile.am changed 3.2% diff
src/57_iopsp_parser/Makefile.in changed 1.7% diff
src/57_iovars/Makefile.am changed 2.1% diff
src/57_iovars/Makefile.in changed 1.7% diff
src/61_occeig/Makefile.am changed 3.4% diff
src/61_occeig/Makefile.in changed 1.8% diff
src/62_cg_noabirule/Makefile.am changed 4.2% diff
src/62_cg_noabirule/Makefile.in changed 1.7% diff
src/62_ctqmc/Makefile.am changed 1.6% diff
src/62_ctqmc/Makefile.in changed 1.7% diff
src/62_iowfdenpot/Makefile.am changed 3.2% diff
src/62_iowfdenpot/Makefile.in changed 1.7% diff
src/62_poisson/Makefile.am changed 3.6% diff
src/62_poisson/Makefile.in changed 1.7% diff
src/62_wvl_wfs/Makefile.am changed 4.1% diff
src/62_wvl_wfs/Makefile.in changed 1.8% diff
src/64_psp/Makefile.am changed 2.4% diff
src/64_psp/Makefile.in changed 1.7% diff
src/65_lotf_base/Makefile.am changed 4.0% diff
src/65_lotf_base/Makefile.in changed 1.7% diff
src/65_paw/Makefile.am changed 1.6% diff
src/65_paw/Makefile.in changed 1.7% diff
src/66_nonlocal/Makefile.am changed 1.8% diff
src/66_nonlocal/Makefile.in changed 1.7% diff
src/66_vdwxc/Makefile.am changed 4.3% diff
src/66_vdwxc/Makefile.in changed 1.8% diff
src/66_wfs/Makefile.am changed 2.5% diff
src/66_wfs/Makefile.in changed 1.7% diff
src/67_common/Makefile.am changed 1.4% diff
src/67_common/Makefile.in changed 1.6% diff
src/67_python_invocation_ext/Makefile.am changed 5.2% diff
src/67_python_invocation_ext/Makefile.in changed 3.9% diff
src/67_triqs_ext/Makefile.am changed 5.3% diff
src/67_triqs_ext/Makefile.in changed 4.0% diff
src/68_dmft/Makefile.am changed 13.7% diff
src/68_dmft/Makefile.in changed 3.1% diff
src/68_lotf/Makefile.am changed 4.4% diff
src/68_lotf/Makefile.in changed 1.8% diff
src/68_recursion/Makefile.am changed 3.0% diff
src/68_recursion/Makefile.in changed 1.7% diff
src/68_rsprc/Makefile.am changed 3.3% diff
src/68_rsprc/Makefile.in changed 1.7% diff
src/69_wfdesc/Makefile.am changed 3.0% diff
src/69_wfdesc/Makefile.in changed 1.7% diff
src/70_gw/Makefile.am changed 0.7% diff
src/70_gw/Makefile.in changed 1.5% diff
src/71_bse/Makefile.am changed 2.3% diff
src/71_bse/Makefile.in changed 1.7% diff
src/71_wannier/Makefile.am changed 3.2% diff
src/71_wannier/Makefile.in changed 1.7% diff
src/72_response/Makefile.am changed 1.6% diff
src/72_response/Makefile.in changed 1.7% diff
src/77_ddb/Makefile.am changed 1.6% diff
src/77_ddb/Makefile.in changed 1.7% diff
src/77_suscep/Makefile.am changed 4.5% diff
src/77_suscep/Makefile.in changed 1.8% diff
src/78_effpot/Makefile.am changed 0.4% diff
src/78_effpot/Makefile.in changed 3.2% diff
src/78_eph/Makefile.am changed 2.5% diff
src/78_eph/Makefile.in changed 1.7% diff
src/79_seqpar_mpi/Makefile.am changed 2.1% diff
src/79_seqpar_mpi/Makefile.in changed 1.7% diff
src/80_tdep/Makefile.am changed 1.8% diff
src/80_tdep/Makefile.in changed 1.7% diff
src/94_scfcv/Makefile.am changed 2.3% diff
src/94_scfcv/Makefile.in changed 1.7% diff
src/95_drive/Makefile.am changed 1.3% diff
src/95_drive/Makefile.in changed 1.6% diff
src/98_main/Makefile.am changed 0.1% diff
src/98_main/Makefile.in changed 0.6% diff
src/incs/Makefile.am changed 14.8% diff
src/incs/Makefile.in changed 1.9% diff
src/Makefile.am changed 1.5% diff
src/Makefile.in changed 1.6% diff
src/mods/Makefile.am changed 16.4% diff
src/mods/Makefile.in changed 1.9% diff
tests/configure.ac changed 1.0% diff
tests/Makefile.am changed 0.1% diff
tests/Makefile.in changed 0.6% diff

Configuration Files (1 of 79):

NameStatusDeltaVisual Diff
config/specs/testfarm.conf changed 1.2% diff

M4 Macro Files (9 of 70):

NameStatusDeltaVisual Diff
aclocal.m4 changed 18.3% diff
config/m4/auto-autotools.m4 changed 8.8% diff
config/m4/auto-corelibs.m4 changed 0.6% diff
config/m4/auto-dirflags.m4 changed 0.1% diff
config/m4/auto-dumpers.m4 changed 0.8% diff
config/m4/auto-env.m4 changed 0.1% diff
config/m4/auto-options.m4 changed 0.1% diff
config/m4/auto-output.m4 changed 1.6% diff
config/m4/auto-triggers.m4 changed 0.4% diff

Makefiles (all 1):

NameStatusDeltaVisual Diff
config.dump.in changed 0.7% diff

SGML Documents (4 of 96):

NameStatusDeltaVisual Diff
doc/topics/_CRPA.md changed 3.2% diff
doc/topics/_DFPT.md changed 1.8% diff
doc/topics/_DFT+U.md changed 3.7% diff
doc/topics/_longwave.md added

BibTeX Documents (all 1):

NameStatusDeltaVisual Diff
doc/abiref.bib changed 1.6% diff

Configure Scripts (all 1):

NameStatusDeltaVisual Diff
configure changed 0.7% diff

Data Lists (3 of 11):

NameStatusDeltaVisual Diff
config/dist/auto-doc.lst changed 0.1% diff
config/dist/auto-src.lst changed 0.1% diff
config/dist/auto-tests.lst changed 0.1% diff

Data Files (133 of 1462):

NameStatusDeltaVisual Diff
tests/gpu/Refs/t03.out changed 0.2% diff
tests/gpu/Refs/t05_MPI1.out changed 0.4% diff
tests/gpu/Refs/t05_MPI2.out changed 0.4% diff
tests/gpu/Refs/t05_MPI4.out changed 0.4% diff
tests/libxc/Refs/t14.out changed 0.4% diff
tests/libxc/Refs/t16.out changed 1.1% diff
tests/libxc/Refs/t41.out changed 0.4% diff
tests/libxc/Refs/t42.out changed 2.2% diff
tests/libxc/Refs/t43.out changed 2.5% diff
tests/libxc/Refs/t44.out changed 1.9% diff
tests/libxc/Refs/t45.out changed 2.0% diff
tests/mpiio/Refs/t99_MPI4.out changed 0.2% diff
tests/paral/Refs/t71_MPI1.out changed 0.1% diff
tests/paral/Refs/t71_MPI10.out changed 0.1% diff
tests/paral/Refs/t71_MPI2.out changed 0.1% diff
tests/paral/Refs/t71_MPI4.out changed 0.1% diff
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tests/paral/Refs/t72_MPI2.out changed 0.1% diff
tests/paral/Refs/t72_MPI4.out changed 0.1% diff
tests/paral/Refs/t73_MPI1.out changed 1.9% diff
tests/paral/Refs/t73_MPI2.out changed 1.9% diff
tests/paral/Refs/t73_MPI4.out changed 1.9% diff
tests/paral/Refs/t74_MPI1.out changed 0.6% diff
tests/paral/Refs/t74_MPI2.out changed 0.6% diff
tests/paral/Refs/t74_MPI4.out changed 0.6% diff
tests/paral/Refs/t75_MPI1.out changed 0.4% diff
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tests/paral/Refs/t75_MPI2.out changed 0.4% diff
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tests/paral/Refs/t83_MPI10.out changed 0.2% diff
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tests/paral/Refs/t85_MPI4.out changed 0.2% diff
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tests/paral/Refs/t99_MPI4.out changed 0.2% diff
tests/tutoparal/Refs/tmbt_4_MPI20.out changed 1.0% diff
tests/tutoparal/Refs/tucrpa_2.out changed 0.1% diff
tests/tutoparal/Refs/tucrpa_2_MPI24.out changed 0.1% diff
tests/tutoparal/Refs/tucrpa_3.out changed 0.7% diff
tests/tutoparal/Refs/tucrpa_4.out changed 0.1% diff
tests/tutoparal/Refs/tucrpa_5.out changed 0.3% diff
tests/tutorespfn/Refs/tlw_1.out changed 4.2% diff
tests/tutorespfn/Refs/tlw_3.out changed 21.5% diff
tests/tutorespfn/Refs/tlw_4.out changed 1.2% diff
tests/tutorespfn/Refs/tlw_6.out changed 31.1% diff
tests/tutorial/Refs/tdftu_2.out changed 0.5% diff
tests/tutorial/Refs/tdftu_3.out changed 0.5% diff
tests/tutorial/Refs/tdftu_4.out changed 0.5% diff
tests/tutorial/Refs/tgw1_1.out changed 0.1% diff
tests/tutorial/Refs/tgw1_3.out changed 0.5% diff
tests/tutorial/Refs/tgw1_4.out changed 0.3% diff
tests/tutorial/Refs/tgw1_5.out changed 0.5% diff
tests/tutorial/Refs/tgw1_6.out changed 0.1% diff
tests/tutorial/Refs/tgw2_3.out changed 2.9% diff
tests/tutorial/Refs/tgw2_4.out changed 0.3% diff
tests/tutorial/Refs/tudet_1.out changed 0.4% diff
tests/tutorial/Refs/tudet_2.out changed 0.4% diff
tests/v3/Refs/t30.out changed 0.4% diff
tests/v3/Refs/t31.out changed 0.4% diff
tests/v4/Refs/t84.out changed 0.3% diff
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tests/v4/Refs/t86.out changed 0.6% diff
tests/v4/Refs/t87.out changed 2.3% diff
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doc/about/release-notes.md changed 1.4% diff
doc/build/config-examples/abiref_nag_7.0_openmpi.ac9 changed 0.8% diff
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doc/theory/acknowledgments.md changed 1.4% diff
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tests/v9/Input/t42.in added

Packages Compared:

abinit-9.0.3.tar.gz
abinit-9.0.4.tar.gz


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