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Commit Graph

11 Commits

Author SHA1 Message Date
eginer
9c1932eb04 fixed casscf 2019-10-21 19:35:08 +02:00
Emmanuel Giner LCT
bee191ee28 working on casscf 2019-08-30 16:30:50 +02:00
Emmanuel Giner LCT
dfd5f25af7 put the openmp 2rdm 2019-07-16 19:51:53 +02:00
Emmanuel Giner LCT
39da8cad5b renamed two-rdm for explicit separation between all states and state average 2019-07-01 17:49:31 +02:00
Emmanuel Giner
3c9728be99 comments 2019-06-29 17:34:20 +02:00
Emmanuel Giner
57eabff675 added documentation for the two-rdm 2019-06-29 17:29:32 +02:00
ae3a4929b6 Using fast 2RDM s 2019-06-27 23:59:21 +02:00
2ef517488c Optimized 1rdm 2019-06-26 01:43:16 +02:00
a128c20afa CASSCF works 2019-06-26 00:58:17 +02:00
26be853c18 Cleaning 2019-06-25 18:53:48 +02:00
d29f82c080 CAS-CI and wdens merged 2019-06-24 16:42:16 +02:00