17 Commits

Author	SHA1	Message	Date
eginer	f0c6c54072	merging with dev	2023-01-17 17:15:17 +01:00
Abdallah Ammar	92a4e33f8a	clean fork with + TC stuffs	2023-01-16 23:36:05 +01:00
AbdAmmar	c731e5d627	Fixed Conf	2022-12-22 14:52:26 +01:00
AbdAmmar	76d502bd35	added UHF Fock matrices	2022-12-21 00:40:24 +01:00
eginer	ce79917152	gain a factor 27 on tc_scf	2022-12-10 17:40:17 +01:00
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
Anthony Scemama	d5fb21fe12	Merge pull request #225 from AbdAmmar/good-dev-tc ... Good dev tc	2022-12-07 18:16:58 +01:00
AbdAmmar	f2c3c72978	v0 of DIIS & level shift	2022-12-07 11:26:34 +01:00
AbdAmmar	d889e67146	opt-g added	2022-12-05 00:08:00 +01:00
Anthony Scemama	5576bb6ccd	Fixed ProgressBar	2022-11-29 12:06:24 +01:00
eginer	6ea05c8adc	minor modifs for complicated cases in tc_scf	2022-11-21 15:33:02 +01:00
eginer	0b7fe4e184	mino rmodifs	2022-10-28 14:30:30 +02:00
eginer	a402d509a9	added the possibility to do maxovl in TC SCF	2022-10-26 20:39:48 +02:00
eginer	6436bfc9c8	added print_angle_tc_orb.irp.f	2022-10-26 13:29:39 +02:00
eginer	42b17e6e3f	moved the jastrow parameters to tc_keywords	2022-10-24 17:07:30 +02:00
eginer	ad0203c959	added tc_keywords and three_body_ints	2022-10-05 17:29:26 +02:00