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trunk 83012ad7fd v10.0.9 2024-09-12 06:13:48 +02:00
.gitlab Replaced the antique and unused watch subdirectory by a Gitlab config file 2019-01-17 13:22:41 +01:00
abichecks Upgrade copyright yeat from 2023 to 2024, final phase. To be checked ... 2024-03-07 05:27:13 +01:00
abimkdocs Slight correction in documentation (prtkden) 2024-06-28 17:37:18 +02:00
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bindings Upgrade copyright year from 2023 to 2024. Phase 2. 2024-03-07 05:16:19 +01:00
cmake Remove backtrace and tp=px from default NVHPC flags in CMake 2024-09-06 17:30:41 +02:00
config The default version number is taken from the file .current_version (modifs from Marc Torrent) 2024-09-11 19:15:15 +02:00
coverage init abinit 8.1.2 2016-07-02 07:56:36 +02:00
developers Improve error message when the dynamical matrix is incomplete. 2024-03-22 06:32:40 +01:00
doc Improve doc of parallelism, as well as output in log files 2024-09-09 20:06:52 +02:00
fallbacks add new abinit-fallbacks packages for testing 2024-04-11 09:06:03 +02:00
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.current_version v10.0.9 2024-09-12 06:13:48 +02:00
.editorconfig Add minimalist .editorconfig for f90, c/c++ and cuda source code files. 2022-06-24 13:01:57 +02:00
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AUTHORS init abinit 8.1.2 2016-07-02 07:56:36 +02:00
CITATION.cff fix typo in CITATION.cff 2023-04-10 16:44:04 +02:00
CMakeLists.txt Cmake: autodetect some important MPI features 2024-07-18 18:16:15 +02:00
COPYING Describe better the copyright, taking into account the existence of APACHE v2.0. 2022-07-21 10:50:45 +02:00
ChangeLog init abinit 8.1.2 2016-07-02 07:56:36 +02:00
Doxyfile Improve developers howto 2019-11-05 09:32:04 +01:00
INSTALL Update tlw_3.abo 2021-01-05 11:42:41 +01:00
INSTALL.md docs 2020-08-28 09:56:47 +02:00
INSTALL_CentOS.md Minor fixes 2020-09-23 15:03:09 +02:00
INSTALL_EasyBuild.md Minor fixes 2020-09-23 15:03:09 +02:00
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LICENCE Create a CITATION.cff file 2023-03-15 08:31:34 +01:00
NEWS Switched to a '.ac9' config file extension for a better clarity wrt ABINIT 9 2019-11-27 17:39:22 +01:00
PACKAGING More upgrades of doc. 2020-08-12 22:07:15 +02:00
README Rationalize ~README files 2018-03-02 21:50:45 +01:00
README.md Update forum link in REAMDE.md 2024-05-01 13:01:22 +02:00
RELNOTES More upgrades of doc. 2020-08-12 22:07:15 +02:00
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abinit.pc.in Cmake starting point for shared/common. 2023-11-28 14:51:56 +01:00
abisrc.py Document ionmov 28 2020-12-02 02:46:20 +01:00
abisrc_requirements.txt Add abisrc_requirements 2019-11-17 23:55:15 +01:00
autogen.sh init abinit 8.1.2 2016-07-02 07:56:36 +02:00
change_source.py Use intrinsic iso_c_binding everywhere 2023-02-24 08:51:13 +01:00
config.h.cmake Cmake: autodetect some important MPI features 2024-07-18 18:16:15 +02:00
config.pc.in Change ALL http:// by https://www.abinit.org 2017-10-08 11:11:49 +02:00
config.sh.in init abinit 8.1.2 2016-07-02 07:56:36 +02:00
configure.ac Autodetect ZDOT bugfix - autotools & cmake 2024-07-18 16:04:30 +02:00
mkdocs.yml.in The topics should be declared both in abimkdocs/variables.py and in mkdocs.yml.in 2024-04-17 18:24:11 +02:00
mkrobodoc.sh Mv ab_dimensions to m_parser 2019-08-16 16:56:11 +02:00
mksite.py Fix two bugs left by Pierre. 2023-12-10 10:41:18 +01:00
requirements.txt New tutorial for multibinit: lattice part 2022-05-27 16:56:47 +02:00
set_abienv.sh Add set_abienv.sh script 2020-12-20 13:45:53 +01:00
setup.cfg Fix post-processing tools in abisrc. Add new graphs. Prepare for py3.8 2019-11-08 13:09:49 +01:00
tasks.py Fix compilation error in m_hashtable_strval when using intel craype 2023-06-19 10:27:31 +02:00
upgrade-build-config-file.sh Had the build of macroave mandatory again 2020-02-06 17:12:45 +01:00
wipeout.sh init abinit 8.1.2 2016-07-02 07:56:36 +02:00

README.md

README for ABINIT

ABINIT is an atomic-scale simulation software suite.

Most of the relevant information can be found on the ABINIT website and the Forum.

Many documentation files can be found in the doc directory. See the file INSTALL for generic compilation and installation instructions. Please see the file COPYING for copying conditions.

LICENSE

Copyright (C) 2006-2024 ABINIT Group

This file is part of ABINIT.

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; see the file COPYING. If not, write to
the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
Boston, MA 02111-1307, USA.