9 Commits

Author	SHA1	Message	Date
pfloos	a37cfb496e	clean up AOtoMO transform	2023-11-22 17:02:46 +01:00
pfloos	d5e7be1500	fix scf convergence issues in RHF, UHF, ROHF and GHF	2023-11-17 00:26:44 +01:00
pfloos	3318daf241	plenty of CC for GHF reference	2023-11-13 22:15:00 +01:00
pfloos	821265a7aa	rename AOtoMO and MOtoAO	2023-11-10 17:22:51 +01:00
Pierre-Francois Loos	b794290c96	fix bug in GHF search	2023-11-07 16:11:01 +01:00
Pierre-Francois Loos	8554099673	add ENuc in print of HF search	2023-11-06 11:57:09 +01:00
pfloos	849bb698f1	ok for now with search	2023-11-04 16:59:54 +01:00
pfloos	925dc64bc8	RHF, UHF, and GHF search seem to work	2023-11-04 15:43:01 +01:00
pfloos	7847710059	GHF search	2023-11-04 15:17:39 +01:00