|
|
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 |
|
|
|
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 |
|
