26 Commits

Author	SHA1	Message	Date
eginer	fca30b9479	minor modifs	2024-05-21 13:01:48 +02:00
Abdallah Ammar	bd8d45b99b	FIXED BUG IN OPTIM J_BH	2024-05-02 17:18:45 +02:00
Abdallah Ammar	23acd603d0	removed diag_three_elem_hf	2024-05-01 23:17:36 +02:00
Abdallah Ammar	fd7a3c08ac	fixed conf	2024-05-01 23:14:39 +02:00
Abdallah Ammar	d43d960b1a	TC-SCF CLEANED	2024-05-01 23:10:18 +02:00
Abdallah Ammar	da8eac81e0	TC-SCF CLEANED	2024-05-01 21:52:00 +02:00
Abdallah Ammar	c50018e8bd	TC SPRING CLEANING: BEGINNING	2024-05-01 20:25:01 +02:00
AbdAmmar	88e0b5fc74	Merge branch 'dev-stable' into dev-stable	2024-05-01 18:54:03 +02:00
AbdAmmar	1a36d974b0	saving lcpq-ampere	2024-04-07 00:43:44 +02:00
AbdAmmar	d872d60e70	saving olympe2 modif	2024-04-07 00:29:40 +02:00
eginer	cfdaf722df	added the keyword to minimize tc angles at the end of TC SCF	2024-03-15 15:40:18 +01:00
eginer	d324dc88f2	Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable	2024-03-12 18:23:46 +01:00
eginer	1769efddca	fixed the qp_test of tc_scf	2024-03-12 16:52:53 +01:00
eginer	8031839761	Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable	2024-03-08 17:27:21 +01:00
eginer	3f861a41b5	added the thresh_de_tc_angles keyword in minimize tc angles	2024-03-08 17:27:18 +01:00
eginer	2ea789bee9	removed STUPID stop in save_tc_natorb	2024-03-08 17:25:48 +01:00
Emmanuel Giner	df2d43d51c	Merge pull request #321 from AbdAmmar/dev-stable ... Dev stable	2024-03-05 17:45:06 +01:00
eginer	36bae4971d	added some j for plotting	2024-02-29 18:44:40 +01:00
AbdAmmar	8e2d2120b0	Merge pull request #33 from QuantumPackage/dev-stable ... Dev stable	2024-02-27 19:02:41 +01:00
eginer	b9932c0e77	added swaping between Left/Right MOs when large angles	2024-02-26 15:33:36 +01:00
AbdAmmar	7fc4c81485	few modif	2024-02-23 23:51:03 +01:00
AbdAmmar	6fa207a9fb	Boys & Handy Jastrow: OK	2024-02-16 16:45:54 +01:00
AbdAmmar	b4ba0eda6f	new keywords for Jastrow	2024-01-15 12:05:26 +01:00
AbdAmmar	ef60141fbf	new keywords for Jastrow	2024-01-15 12:02:38 +01:00
AbdAmmar	bc1957c45a	print angles for tc-scf	2023-12-28 17:14:12 +01:00
Anthony Scemama	b95c8142a5	Moved many modules in plugins/local for quicker installation	2023-11-07 10:27:34 +01:00