13 Commits

Author	SHA1	Message	Date
eginer	0b7c5fcb97	trying to optimize the most intensive part	2022-12-14 18:47:32 +01:00
eginer	23ec3ba18a	trying to prune grid points per AO couples	2022-12-12 16:49:31 +01:00
eginer	7578ce3450	added test_int.irp.f	2022-12-09 18:19:10 +01:00
AbdAmmar	f6f1ca5fa4	opt-cg fixed bug	2022-12-05 01:30:37 +01:00
AbdAmmar	07c82cc7be	fixed bug opt-GTOs	2022-12-05 00:31:24 +01:00
AbdAmmar	d889e67146	opt-g added	2022-12-05 00:08:00 +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	6513358da3	merged with dev-tc	2022-10-11 11:03:10 +02:00
eginer	996c09d220	beginning to work on new jastrow	2022-10-10 18:20:33 +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