8 Commits

Author	SHA1	Message	Date
pfloos	ebd00ae525	clean up print excitation energy	2023-11-22 10:07:23 +01:00
pfloos	d5e7be1500	fix scf convergence issues in RHF, UHF, ROHF and GHF	2023-11-17 00:26:44 +01:00
pfloos	7a7f3888a2	S components for UHF	2023-11-15 21:58:32 +01:00
pfloos	ddb2ccfb54	fix ROHF	2023-11-09 23:23:00 +01:00
Pierre-Francois Loos	95a3715a3f	fix UHF	2023-10-24 14:39:02 +02:00
pfloos	4eaf01c81a	fix typo in ROHF print	2023-09-06 13:23:25 +02:00
pfloos	a18dfa5545	OK with ROHF	2023-09-06 13:19:49 +02:00
pfloos	4e057b71f5	print ROHF	2023-09-06 12:22:53 +02:00