msspec_python3/src/msspec
Sylvain Tricot 94ce7648d4
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
Upgrade Phagen to 2.2 and 2.3 versions
Thos versions fix a bug in the routine that find zeros
of the wavefunction
2021-03-22 08:39:48 +01:00
..
data Add new file hierarchy 2019-11-15 11:16:06 +01:00
es Add test coverage report in documentation 2019-11-29 17:38:41 +01:00
msspecgui Clusterviewer with WXWidgets is renamed 2021-01-25 14:01:34 +01:00
phagen Upgrade Phagen to 2.2 and 2.3 versions 2021-03-22 08:39:48 +01:00
spec Update the Readme file. 2021-02-22 15:49:57 +01:00
__init__.py Add multielement support for SPRKKR potential 2020-07-07 17:27:26 +02:00
calcio.py Change the reading format for the tl. 2020-11-26 09:52:14 +01:00
calculator.py Update msspec against its dependencies. 2021-02-19 08:22:47 +01:00
cli.py New entry point in package. 2020-06-15 16:48:01 +02:00
create_tests_results.py Add support for SPRKKR potential. 2020-04-10 17:36:25 +02:00
iodata.py Fix use of deprecated MenuItem.GetText(). 2021-02-22 19:02:31 +01:00
iodata_gi.py start porting the code from WX to GTK3. 2020-12-08 21:29:30 +01:00
iodata_wx.py start porting the code from WX to GTK3. 2020-12-08 21:29:30 +01:00
misc.py Add support for SPRKKR potential. 2020-04-10 17:36:25 +02:00
parameters.py Print more path information. 2020-11-09 14:19:36 +01:00
tests.py Add support for SPRKKR potential. 2020-04-10 17:36:25 +02:00
utils.py Add multielement support for SPRKKR potential 2020-07-07 17:27:26 +02:00
version.py Work on Makefiles to make install easier... 2020-12-02 18:18:47 +01:00