1
0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-07 11:56:09 +02:00
Commit Graph

96 Commits

Author SHA1 Message Date
33f33fcdf3 Auto-generate interfaces 2021-04-16 01:09:41 +02:00
ff8330f8f9 Include lib.org 2021-04-09 11:26:04 +02:00
7397dac788 Created HPC directory 2021-04-02 12:05:13 +02:00
fbfe558937 Update names 2021-04-02 12:04:24 +02:00
249c145d0c Added tile 2021-04-01 10:59:36 +02:00
aa8a1fd3b1 Added AO struct 2021-04-01 01:26:07 +02:00
7642d336d1 Fixed memory leak 2021-03-31 01:52:43 +02:00
93b5e48a6b Memory management 2021-03-30 22:40:56 +02:00
fac7e9d74f Easier context 2021-03-30 14:51:23 +02:00
09c8f9700f Fixed const in munit and tests 2021-03-29 01:39:12 +02:00
293f0a008e Fixed const in munit 2021-03-29 01:22:54 +02:00
a295cfe22e Compliant with CERT standard 2021-03-29 01:17:33 +02:00
27b9fdab22 Fixed Makefile 2021-03-20 16:58:48 +01:00
be44127dba Included auto-generation of Fortran in distances 2021-03-20 16:56:22 +01:00
b1f1843e01 Fixed bug in polynomials 2021-03-19 23:16:30 +01:00
885f7b000e Fixed Fortran interface 2021-03-19 19:11:06 +01:00
170fc770f5 Fixed fortran interface 2021-03-19 19:05:02 +01:00
135c27c2ef Fixed fortran interface 2021-03-19 19:02:43 +01:00
ce480af775 Added Fortran interface for qmckl_string_of_error 2021-03-19 18:59:04 +01:00
5c81cf1dee Added qmckl_string_of_error 2021-03-19 18:17:01 +01:00
87ad36e342 Fixing CI 2021-03-19 13:47:50 +01:00
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
02163ce52c Fixing website 2021-03-06 20:05:36 +01:00
f26785b829 Fixing makefile 2021-03-06 19:36:46 +01:00
f03cff153e Fixed makefile 2021-03-06 18:19:13 +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
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
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
352679919e Fix GH workflow 2020-11-07 16:11:34 +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
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