Emmanuel Giner
|
25102d79a3
|
fixed a bug in two_rdm, added the possibility to Write/Read the all_states active 2 rdm
|
2020-04-02 14:22:01 +02:00 |
|
Emmanuel Giner
|
8f7e7ff264
|
bug in CASSCF
|
2020-03-25 16:01:20 +01:00 |
|
Emmanuel Giner
|
bd51efc011
|
added all_but_del_orb in a clean way
|
2020-03-24 12:01:21 +01:00 |
|
Emmanuel Giner LCT
|
9ba571a910
|
removed generators bitmaks, and casscf with not continuous orbital windows is working
|
2019-10-24 19:02:42 +02:00 |
|
eginer
|
4c69e8fd00
|
modified core_inact dimension
|
2019-10-22 19:01:31 +02:00 |
|
Emmanuel Giner
|
887afe97b4
|
two rdm seems to work with buffer, ready for openmp
|
2019-07-04 17:34:56 +02:00 |
|
|
05df77ddb8
|
Fixed previous commit
|
2019-07-02 23:30:36 +02:00 |
|
|
e69b2d6b25
|
Cleaning in bitmasks
|
2019-07-02 13:13:40 +02:00 |
|
|
82bbf95fea
|
Fixed small bugs
|
2019-06-27 23:46:30 +02:00 |
|
Emmanuel Giner LCT
|
7e679b11b1
|
modified core_inact_act_virt.irp.f
|
2019-05-10 16:00:04 +02:00 |
|
Emmanuel Giner LCT
|
cc578279e7
|
added rotate mos
|
2019-05-09 23:58:36 +02:00 |
|
|
24d9745056
|
Initial commit
|
2019-01-25 11:39:31 +01:00 |
|