23 Commits

Author	SHA1	Message	Date
AbdAmmar	b39daa53c4	added keywords for r1 grid	2023-07-02 21:49:25 +02:00
Abdallah Ammar	b88437b6b3	minor modif	2023-06-24 18:54:32 +02:00
Abdallah Ammar	8c2f6c9485	minor modif	2023-06-19 23:57:39 +02:00
Abdallah Ammar	2ef05d01c9	j1b_type 4/104 modif	2023-06-19 23:39:53 +02:00
AbdAmmar	bf1ee8f8fa	Merge branch 'dev-stable-tc-scf' into dev-stable-tc-scf	2023-06-02 20:28:12 +02:00
Abdallah Ammar	86b4845412	IO TC normal ordering added	2023-05-26 08:10:18 +02:00
eginer	4d9cdf9df1	added new mu(r) jastrow	2023-05-24 11:06:00 +02:00
eginer	1d5ff0df66	added the possibility to select 3idx, 4-idx and 5idx	2023-05-22 11:52:16 +02:00
Abdallah Ammar	367e1a2d5a	fixed bug in -s-Gauss List_b3 for molec	2023-05-10 22:37:13 +02:00
Abdallah Ammar	79182e3023	added use_ipp keyword	2023-05-09 15:49:34 +02:00
Abdallah Ammar	402a6e8988	added jast_type 0	2023-05-07 12:44:59 +02:00
AbdAmmar	868d5a162b	jast 201 added	2023-05-06 18:25:06 +02:00
AbdAmmar	5eb3b69873	mu(r) added	2023-05-04 01:42:06 +02:00
eginer	bcaca2bab1	Merge branch 'dev-stable-tc-scf' of https://github.com/QuantumPackage/qp2 into dev-stable-tc-scf	2023-03-29 15:48:11 +02:00
eginer	6d7d7ccfb4	set the threshold_cycle to 1e-10 by default	2023-03-29 15:47:59 +02:00
Anthony Scemama	405614c400	Merge branch 'dev-stable-tc-scf' of github.com:QuantumPackage/qp2 into dev-stable-tc-scf	2023-03-28 13:18:22 +02:00
eginer	436b881580	added thresh_cycle	2023-03-28 11:21:19 +02:00
Anthony Scemama	e710d26237	Improve I/O on TC integrals	2023-03-17 19:23:07 +01:00
eginer	22fb8c17e2	fixed the bug of misalignement between coefs and determinants in fci_tc_bi_ortho	2023-03-16 14:00:21 +01:00
Abdallah Ammar	4a23b63a42	Merge branch 'dev-stable' into dev-stable-tc-scf	2023-03-04 14:33:43 +01:00
Abdallah Ammar	ec082f641b	tc_keywords: combined	2023-03-04 02:24:16 +01:00
eginer	274e903d3c	added spin density	2023-02-24 21:38:09 +01:00
eginer	4472a6d9be	non_h_ints compiles	2023-02-06 19:00:35 +01:00