15 Commits

Author	SHA1	Message	Date
Emmanuel Giner	2e94a6b1d8	Merge pull request #1 from AbdAmmar/good-dev-tc ... Good dev tc	2022-12-08 17:46:30 +01:00
AbdAmmar	06a2f32b1d	fixed bugs + cleaning in TC-SCF DIIS	2022-12-08 00:35:40 +01:00
AbdAmmar	d889e67146	opt-g added	2022-12-05 00:08:00 +01:00
eginer	6ea05c8adc	minor modifs for complicated cases in tc_scf	2022-11-21 15:33:02 +01:00
AbdAmmar	eb37b83763	cycle in integ added	2022-11-21 10:38:42 +01:00
AbdAmmar	8bed36e93e	merged version: ok	2022-10-31 19:14:27 +01:00
eginer	1e2f8ab44f	adapted the tc_natorb with block diagonalization	2022-10-29 20:07:33 +02:00
eginer	0b7fe4e184	mino rmodifs	2022-10-28 14:30:30 +02:00
eginer	20e46cab61	removed	2022-10-28 13:31:37 +02:00
eginer	f00c234782	changed threshold in src/non_hermit_dav/biorthog.irp.f	2022-10-28 13:24:50 +02:00
eginer	c2a8a17572	minor modifs the minimize_tc_angles routines	2022-10-27 13:21:53 +02:00
eginer	9716ee2b66	working on rotate	2022-10-26 18:32:08 +02:00
eginer	6436bfc9c8	added print_angle_tc_orb.irp.f	2022-10-26 13:29:39 +02:00
eginer	f5b0ba2e26	changed thresholds	2022-10-24 22:14:36 +02:00
eginer	db02a9c865	added non_hermit_dav	2022-10-24 21:13:27 +02:00