Go to file
luigigenovese 02c049b560 Merge branch 'work/NEB' into 'devel'
Adjust spred test build system.

See merge request l_sim/bigdft-suite!355
2024-11-07 10:23:38 +00:00
Coverage added an explanation line for _example docs 2022-05-11 12:57:14 +02:00
PyBigDFT Merge branch 'devel' of gitlab.com:l_sim/bigdft-suite into devel 2024-10-23 19:06:19 +02:00
atlab correct python installation of futile for checking 2024-06-07 10:22:53 +02:00
bigdft Merge branch 'work/NEB' into 'devel' 2024-11-07 10:23:38 +00:00
bigdft-doc added remotecompilation procedure 2024-10-23 19:15:07 +02:00
bundler added automatic git update mechanism 2023-09-23 19:07:01 +02:00
chess Fix automatic detection of ntpoly 2024-11-07 10:02:56 +00:00
debian [ci] Cleanup dependencies of Basic build. 2022-06-13 15:22:44 +02:00
doc moved bigdft-suite documentation into bigdft-doc 2020-12-15 22:04:30 +01:00
futile Add a function to poll the error try environment. 2024-11-06 10:04:48 +01:00
libABINIT Autogen procedure updated 2023-05-15 14:03:37 +02:00
liborbs correct python installation of futile for checking 2024-06-07 10:22:53 +02:00
m4 Fix automatic detection of ntpoly 2024-11-07 10:02:56 +00:00
modulesets Merge branch 'omp_build' into 'devel' 2024-11-07 10:02:56 +00:00
pseudo Merge with present 1.7 2014-12-08 12:18:29 +01:00
psolver fixed some minor issues 2024-10-06 15:16:08 +02:00
rcfiles Merge branch 'omp_build' into 'devel' 2024-11-07 10:02:56 +00:00
spred Format images output infos in NEB. 2024-11-06 10:04:48 +01:00
tarballs update releases and trimming corrected 2024-07-09 15:58:55 +02:00
.gitignore trying to fix micromamba downloading 2024-04-15 13:15:47 +02:00
.gitlab-ci-base.yml [ci] Export PYTHON as python3. 2022-07-05 14:52:01 +02:00
.gitlab-ci.yml added TCDFT test mode 2024-08-27 20:06:51 +02:00
INSTALL updated the installation instructions 2017-03-23 13:08:13 +01:00
Installer.py added irene specs 2022-10-09 19:17:24 +02:00
README update README 2022-01-31 17:05:09 +01:00
UniParse.py Modified installer to work with python2 and python3 2019-05-15 14:12:17 +09:00
defaults.jhbuildrc minor adjustment of jhbuildrc 2024-07-02 11:40:53 +02:00
distfiles added dftd3 dependencies 2022-12-07 16:00:29 +01:00

README

BigDFT: electronic structure calculation based on Daubechies wavelets.

bigdft-suite is a set of different packages to run bigdft.

See http://bigdft.org for more information about the project BigDFT.

See the INSTALL file for the installation.