5 Commits

Author	SHA1	Message	Date
eginer	a15055e964	optimization of one-body TC-CASSCF gradients	2023-08-10 17:26:33 +02:00
eginer	cc20c97eda	all the one-body gradients are correct for TC-CASSCF	2023-08-10 17:07:40 +02:00
eginer	ee2c470054	clarified the TC-CASSCF gradients	2023-08-10 15:58:31 +02:00
eginer	b3b080929b	fixed stupid bug in TC 1-RDM and one-e gradient: o-v, o-a are ok	2023-07-11 01:56:28 +02:00
eginer	8729a7ca45	inactive --> virtual one-e term gradient ok	2023-07-10 23:24:12 +02:00