19 Commits

Author	SHA1	Message	Date
eginer	65bef0b266	new attempt of mu(r)	2024-08-27 15:24:46 +02:00
eginer	70f8019960	removed stupid print in tc_keywords/EZFIO.cfg	2024-05-23 10:02:46 +02:00
eginer	4dd4762505	Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable	2024-05-22 17:01:52 +02:00
eginer	fca30b9479	minor modifs	2024-05-21 13:01:48 +02:00
eginer	a38bf00975	updated default keywords in tc_keywords and ao_twoe_e_ints	2024-05-08 17:26:48 +02:00
eginer	b7787f5e6d	trying to speed up the PT2 in TC by transposing the array of tc integrals	2024-05-07 19:43:05 +02:00
Anthony Scemama	a1eb62f66d	Merge branch 'dev-stable' of github.com:AbdAmmar/qp2 into AbdAmmar-dev-stable	2024-05-06 17:32:37 +02:00
Anthony Scemama	944c41b101	Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable	2024-05-02 16:22:43 +02:00
Anthony Scemama	425e7e4ee0	Changed symetric_fock_tc into symmetric_fock_tc	2024-05-02 16:22:01 +02:00
Abdallah Ammar	d43d960b1a	TC-SCF CLEANED	2024-05-01 23:10:18 +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	002aff90f5	working on mem reduction	2024-04-07 00:43:44 +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
AbdAmmar	1dbde56439	O(N4) -> O(N3) transformations	2024-03-13 07:04:54 +01:00
eginer	3f861a41b5	added the thresh_de_tc_angles keyword in minimize tc angles	2024-03-08 17:27:18 +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
Anthony Scemama	b95c8142a5	Moved many modules in plugins/local for quicker installation	2023-11-07 10:27:34 +01:00