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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-01 08:56:29 +02:00
Commit Graph

418 Commits

Author SHA1 Message Date
14c216a51a FIxed tests 2021-03-19 00:16:18 +01:00
8c7a1df382 All tests fixed 2021-03-19 00:10:35 +01:00
676d5867bd Fixed qmckl_memory 2021-03-18 23:55:50 +01:00
d10c84acbb Fixed context 2021-03-18 19:12:39 +01:00
1af0bf053f Memory checking 2021-03-18 18:02:34 +01:00
4bf71426e4 Rewrote context 2021-03-10 12:58:38 +01:00
342c337677 Separated org-mode files 2021-03-09 01:16:23 +01:00
8153b84c7b Working on configure.org 2021-03-07 00:58:17 +01:00
5f2da3e9fa Fixed website 2021-03-06 23:27:48 +01:00
a948aa6c4b Debug github 2021-03-06 23:26:35 +01:00
cb1562de19 Debug github 2021-03-06 23:21:10 +01:00
e318c6e56e Debug web site 2021-03-06 20:14:26 +01:00
02163ce52c Fixing website 2021-03-06 20:05:36 +01:00
479a068199 testing workflow 2021-03-06 19:56:36 +01:00
09a862aa2b Fixed website 2021-03-06 19:49:55 +01:00
dca597a3ab Fixed doc creation 2021-03-06 19:46:27 +01:00
0f15844bf3 Fixing doc generation 2021-03-06 19:40:01 +01:00
f26785b829 Fixing makefile 2021-03-06 19:36:46 +01:00
f03cff153e Fixed makefile 2021-03-06 18:19:13 +01:00
d7a922b24e Added rename script 2021-03-06 14:47:11 +01:00
88f1f82230 Updated doc generation 2021-03-06 14:46:01 +01:00
fd4a50ddee Update README.org 2021-03-06 14:14:48 +01:00
56f5d9d56d Error handling 2021-03-05 03:45:30 +01:00
6f2adf2921 qmckl_memory 2021-02-19 01:39:42 +01:00
vijay
275e852e8b
Merge pull request #2 from TREX-CoE/main
Main
2021-01-08 20:40:21 +01:00
680a0880b4 Added file names as properties 2020-12-24 17:47:36 +01:00
913b50099b HTML 2020-12-03 18:59:25 +01:00
d2bab284ac Tilde 2020-12-03 18:57:15 +01:00
4e76e6dd83 Merge branch 'main' 2020-11-25 18:42:37 +01:00
efb1c52a61 Update workflows with master branch 2020-11-25 18:41:55 +01:00
Anthony Scemama
6dfa8692b3
Update CSS 2020-11-25 18:39:31 +01:00
23a370bc47 Merge branch 'main' of github.com:TREX-CoE/qmckl into main 2020-11-14 18:30:07 +01:00
6b797bd5d4 Added AO basis in context. Tests to do 2020-11-14 18:27:38 +01:00
d50737687c Inline function in polynomials 2020-11-07 16:38:32 +01:00
03f46f7bb6 Merge branch 'main' of github.com:TREX-CoE/qmckl into main 2020-11-07 16:27:27 +01:00
8a53306a63 Fix GH workflow 2020-11-07 16:17:37 +01:00
22e0936a63 Fix GH workflow 2020-11-07 16:13:58 +01:00
f10b633679 Fix GH workflow 2020-11-07 16:12:47 +01:00
352679919e Fix GH workflow 2020-11-07 16:11:34 +01:00
7e3d259c9d Added emacs config file 2020-11-07 15:41:49 +01:00
3852dad53d Reordering of powers in polynomials 2020-11-06 12:10:20 +01:00
abbc12e160 Transposed VGL in ao_polynomials 2020-11-06 11:01:33 +01:00
Anthony Scemama
b93d162a65
Update gh-pages.yml 2020-11-05 17:54:58 +01:00
Anthony Scemama
74f3cb0e36
Update gh-pages.yml 2020-11-05 17:49:59 +01:00
Anthony Scemama
5cd333a7cd
Update config.el 2020-11-05 16:11:54 +01:00
69fa53c877 Modified script for colorized html 2020-11-05 15:53:28 +01:00
09a6402783 Better org-mode for documentation 2020-11-05 15:34:58 +01:00
ccc1b835d1 Simplify org-mode 2020-11-05 15:27:25 +01:00
e774a725b9 Merging org files 2020-11-05 12:57:39 +01:00
2467214b3a Introduced Gaussian basis functions 2020-11-05 00:46:19 +01:00