8 Commits

Author	SHA1	Message	Date
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
AbdAmmar	06a2f32b1d	fixed bugs + cleaning in TC-SCF DIIS	2022-12-08 00:35:40 +01:00
eginer	fb87d3f012	added the 3body contribution in the energy for TCSCF	2022-11-19 17:07:21 +01:00
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	ad01d2b2e4	v0 of new Jast added	2022-10-20 12:00:06 +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