16 Commits

Author	SHA1	Message	Date
AbdAmmar	c731e5d627	Fixed Conf	2022-12-22 14:52:26 +01:00
AbdAmmar	eee1fe8673	prep for PR	2022-12-22 14:42:38 +01:00
AbdAmmar	76d502bd35	added UHF Fock matrices	2022-12-21 00:40:24 +01:00
eginer	23ec3ba18a	trying to prune grid points per AO couples	2022-12-12 16:49:31 +01:00
AbdAmmar	06a2f32b1d	fixed bugs + cleaning in TC-SCF DIIS	2022-12-08 00:35:40 +01:00
AbdAmmar	a048f1048a	fixed conflict	2022-11-21 14:37:04 +01:00
AbdAmmar	eb37b83763	cycle in integ added	2022-11-21 10:38:42 +01:00
eginer	fb87d3f012	added the 3body contribution in the energy for TCSCF	2022-11-19 17:07:21 +01:00
eginer	1c614a389b	it works	2022-10-24 17:59:28 +02:00
eginer	42b17e6e3f	moved the jastrow parameters to tc_keywords	2022-10-24 17:07:30 +02:00
AbdAmmar	fccf2fe438	new jast added in QP	2022-10-21 23:27:51 +02:00
AbdAmmar	813f2c3601	Hij in bimo added	2022-10-20 15:48:34 +02:00
AbdAmmar	ad01d2b2e4	v0 of new Jast added	2022-10-20 12:00:06 +02:00
AbdAmmar	6513358da3	merged with dev-tc	2022-10-11 11:03:10 +02:00
eginer	70516c8c05	added fci_tc_bi	2022-10-05 17:59:23 +02:00
eginer	bdce53d8b1	added many files and did a lot of documentation for bi-ortho scf	2022-10-05 00:05:22 +02:00