|
|
2bb844dd59
|
Added configure scripts
|
2021-05-07 12:47:56 +02:00 |
|
|
|
0dffa4ce4c
|
Cleaned Makefile
|
2021-05-04 17:10:20 +02:00 |
|
|
|
c2d02f755b
|
Added DESTDIR in Makefile
|
2021-04-30 01:55:50 +02:00 |
|
|
|
58f4113a99
|
Added missing css file
|
2021-04-30 01:34:10 +02:00 |
|
|
|
e2e46d0714
|
Moved documentation in share/doc
|
2021-04-30 01:26:19 +02:00 |
|
|
|
79c9651021
|
Fix makefile
|
2021-04-28 13:30:04 +02:00 |
|
|
|
bc85565586
|
small changes
|
2021-04-28 12:08:53 +02:00 |
|
|
|
f0f6ac7d85
|
Added ee-distance computation
|
2021-04-26 01:47:29 +02:00 |
|
|
|
b56a13be66
|
FIxed distcheck
|
2021-04-21 13:30:02 +02:00 |
|
|
|
56ba68b7f8
|
Fixed text in org file
|
2021-04-21 13:26:11 +02:00 |
|
|
|
8882b4b3d4
|
Fix htmlize
|
2021-04-21 13:17:33 +02:00 |
|
|
|
59d56f6b27
|
Hide code in doc
|
2021-04-21 13:00:24 +02:00 |
|
|
|
399a632bdd
|
Add doc in dist, and text doc
|
2021-04-21 12:44:03 +02:00 |
|
|
|
e18655b147
|
Added qmckl_electron
|
2021-04-21 01:56:47 +02:00 |
|
|
|
03c0abbf4e
|
Added gitignore
|
2021-04-21 00:00:38 +02:00 |
|
|
|
6d83abe736
|
Added make distcheck
|
2021-04-20 19:10:36 +02:00 |
|
|
|
3618cde7b1
|
Cleaned Makefiles
|
2021-04-20 18:33:36 +02:00 |
|
|
|
afd3f6ae7a
|
Added test to set basis set parameters
|
2021-04-18 15:10:55 +02:00 |
|
|
|
5c285dcdb6
|
Fixed distances
|
2021-04-17 12:35:52 +02:00 |
|
|
|
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 |
|
|
|
271c4cfe84
|
Nicer bash script
|
2021-03-23 22:23:49 +01:00 |
|
|
|
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 |
|
|
|
c5bc3a29d5
|
Added include directory
|
2021-03-19 13:51:00 +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 |
|
