15 Commits

Author	SHA1	Message	Date
Emmanuel Giner	d9bb07a2f2	renamed two rdm in casscf	2020-03-22 18:18:18 +01:00
Emmanuel Giner LCT	b470cb6c1e	state average works	2019-10-25 17:31:09 +02:00
Emmanuel Giner LCT	65a5b87a43	put the correct weight in the 2RDM	2019-10-25 01:30:30 +02:00
eginer	b7992a11a9	working ...	2019-10-23 00:11:55 +02:00
eginer	0b6bc9abc1	not much of improvements ...	2019-10-22 20:22:54 +02:00
eginer	713ef176a1	natural orbitals of the super_ci works	2019-10-22 20:00:19 +02:00
eginer	ecc9faa0b9	super_ci density matrix seems to work	2019-10-22 19:39:49 +02:00
eginer	fb73acf38d	super_ci dm not working	2019-10-22 18:56:26 +02:00
Emmanuel Giner LCT	c8cd161162	trying to fix the casscf	2019-09-18 13:55:16 +02:00
Anthony Scemama	0336738109	Working on fast integrals	2019-07-05 18:50:22 +02:00
Emmanuel Giner	919662ee0b	beginning to rewrite two_rdm	2019-07-04 16:16:57 +02:00
Emmanuel Giner LCT	7df2c2a20c	trying to do stuffs in multi state rdms	2019-07-01 18:30:23 +02:00
Emmanuel Giner	57eabff675	added documentation for the two-rdm	2019-06-29 17:29:32 +02:00
Emmanuel Giner	78fe995f55	getting there with active orbitals	2019-06-28 20:45:07 +02:00
eginer	de7e1f7095	added test for energy	2019-06-28 16:51:16 +02:00