9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-10 18:01:30 +02:00
Commit Graph

12 Commits

Author SHA1 Message Date
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