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trunk 0e6a27fb11 Fix merge markers in tests/tutorial/Refs/tpaw1_addons 
Former-commit-id: 43eca62142532206dafd51e63d0bf0b2adaf5301
 		2025-06-04 20:14:18 +02:00
.github/__workflows__ Disable github actions 2024-11-12 13:25:15 +01:00
.gitlab Replaced the antique and unused watch subdirectory by a Gitlab config file 2019-01-17 13:22:41 +01:00
abichecks Update copyright from 2024 to 2025 2025-02-19 21:59:52 +01:00
abimkdocs RT-TDDFT: Added documentation of prtcurrent variable 2025-06-03 10:30:32 +02:00
abimkdocs_plugin Rename Psps_for_tests to Pspdir in all *.py and *.cmake files. 2024-11-20 18:10:32 +01:00
abimkdocs_tests Rename Psps_for_tests to Pspdir in all *.py and *.cmake files. 2024-11-20 18:10:32 +01:00
abinit_theme Add md files for GWR 2023-04-28 11:09:26 +02:00
bindings Update copyright from 2024 to 2025 2025-02-17 11:45:26 +01:00
cmake CMake: Add CUDA toolkit version in OpenMP offload flags 2025-06-03 21:47:40 +02:00
config Autotools: add 'with-cuda' & 'with-rocm' and deprecate 'with-gpu' & 'with-gpu-flavor' 2025-06-03 21:47:40 +02:00
coverage init abinit 8.1.2 2016-07-02 07:56:36 +02:00
developers Create new test files related to lw (copy of tutorial) 2025-05-15 22:01:38 +02:00
doc Second trial to finalize v10.4.2 2025-06-04 08:41:21 +02:00
fallbacks add new abinit-fallbacks packages for testing 2024-04-11 09:06:03 +02:00
fkiss Additional consistency checks 2025-04-01 11:46:22 +02:00
packages/debian Update copyright from 2024 to 2025 2025-02-19 21:59:52 +01:00
scripts Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr 2025-04-01 12:22:32 +02:00
shared Merge branch 'release-10.4' 2025-06-04 19:00:14 +02:00
split Fixes 2024-11-19 16:22:06 +01:00
src CMake: All sub-dirs use the same module directory 2025-06-03 21:47:40 +02:00
tests Fix merge markers in tests/tutorial/Refs/tpaw1_addons 2025-06-04 20:14:18 +02:00
.current_version v10.4.3 2025-06-04 11:30:35 +02:00
.editorconfig Add minimalist .editorconfig for f90, c/c++ and cuda source code files. 2022-06-24 13:01:57 +02:00
.gitignore dry run mode 2025-03-18 03:41:43 +01:00
.gitmodules minor fix 2025-02-22 19:18:17 +01:00
AUTHORS init abinit 8.1.2 2016-07-02 07:56:36 +02:00
CITATION.cff Cosmetic changes 2025-03-12 14:17:30 +01:00
CMakeLists.txt Add option for enabling unified memory for NVHPC in Autotools & CMake 2025-06-03 21:47:40 +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 Fix a couple of minor issues, related to documentation. 2025-05-03 18:22:31 +02:00
INSTALL_EasyBuild.md Minor fixes 2020-09-23 15:03:09 +02:00
INSTALL_MacOS.md More modifs of INSTALL_MacOS.md 2021-08-19 06:23:11 +02:00
INSTALL_Ubuntu.md update refs 2021-11-06 01:49:53 +01:00
INSTALL_gpu.md typo 2024-04-19 13:46:27 +02:00
KNOWN_PROBLEMS v10.4.3 2025-06-04 11:30:35 +02:00
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 Act as in d1c4956f70 Mon Feb 17 11:50:32 2025 : Update copyright from 2024 to 2025 2025-02-19 21:55:04 +01:00
RELNOTES More upgrades of doc. 2020-08-12 22:07:15 +02:00
THANKS init abinit 8.1.2 2016-07-02 07:56:36 +02:00
TODO Revert to situation before test 2020-04-08 06:27:34 +02:00
TODO.buildsys Imported new detection tests for TRIQS from Olivier Gingras 2019-10-11 19:15:49 +02:00
abinit.pc.in Cmake starting point for shared/common. 2023-11-28 14:51:56 +01:00
abisrc.py prepare ecutwfn in GWR 2025-04-01 16:40:59 +02:00
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: Add missing defines in config.h.cmake 2025-05-21 22:35:20 +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 Remove configure files from tracking in develop 2025-03-18 10:21:02 +01:00
configure.ac Autotools: Add NVCC_CFLAGS_ARCH and populate NVCC_CFLAGS automatically 2025-06-03 21:47:40 +02:00
mkdocs.yml.in fixed conflicts with 10.4 2025-04-12 15:20:59 +02:00
mkrobodoc.sh Mv ab_dimensions to m_parser 2019-08-16 16:56:11 +02:00
mksite.py Add .current_version file to detect Abinit version (mkserve.py) 2024-12-27 16:50:06 +01:00
requirements.txt Raise if abinit_version == unknown 2024-11-05 13:41:33 +01:00
set_abienv.sh Rename Psps_for_tests to Pspdir in all *.py and *.cmake files. 2024-11-20 18:10:32 +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 Saving work 2025-03-19 13:46:24 +01:00
upgrade-build-config-file.sh Improve TRIQS interface 2024-12-17 18:03:32 +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) 2006-2025 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.