13 Commits

Author	SHA1	Message	Date
Emmanuel Giner	f51aa26d2b	Bug seems fixed in casscf ... ?	2020-03-25 16:13:26 +01:00
Emmanuel Giner	d9bb07a2f2	renamed two rdm in casscf	2020-03-22 18:18:18 +01:00
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
Anthony Scemama	ae3a4929b6	Using fast 2RDM s	2019-06-27 23:59:21 +02:00
Anthony Scemama	2ef517488c	Optimized 1rdm	2019-06-26 01:43:16 +02:00
Anthony Scemama	a128c20afa	CASSCF works	2019-06-26 00:58:17 +02:00
Anthony Scemama	26be853c18	Cleaning	2019-06-25 18:53:48 +02:00
Anthony Scemama	d29f82c080	CAS-CI and wdens merged	2019-06-24 16:42:16 +02:00