23 Commits

Author	SHA1	Message	Date
Abdallah Ammar	072bea8041	Improve 4idx	2023-06-03 22:12:30 +02:00
AbdAmmar	9500fb03a9	Merge pull request #18 from QuantumPackage/dev-stable ... Improve 5idx	2023-06-02 20:50:44 +02:00
Anthony Scemama	4cc8dae420	Improve 5idx	2023-06-02 20:32:31 +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	6d01eb42ca	print mem details	2023-06-02 20:16:39 +02:00
Anthony Scemama	896ac96e7e	Reduced memory in 5idx	2023-06-02 11:40:21 +02:00
Anthony Scemama	b2c005eccb	Finished optimizing 5idx	2023-06-02 11:08:30 +02:00
Anthony Scemama	00bd8e2fcc	Optimized cyclic 5idx	2023-06-02 10:55:51 +02:00
Anthony Scemama	c4612318ae	Optimized direct 5idx	2023-06-02 09:11:32 +02:00
Anthony Scemama	fb5300a8e5	Preparing for optimization of 5idx in TC	2023-06-02 08:51:04 +02:00
Anthony Scemama	b9c1833896	Optimized three_e_5_idx_exch12_bi_ort	2023-06-02 00:33:37 +02:00
Anthony Scemama	6971bf186c	Accelerated multiply_poly	2023-06-01 21:42:02 +02:00
Abdallah Ammar	5ab6a1d7fb	few modifs	2023-06-01 19:59:25 +02:00
Abdallah Ammar	402a6e8988	added jast_type 0	2023-05-07 12:44:59 +02:00
AbdAmmar	207e52d220	fixed bug in TC integrals	2023-04-26 08:52:06 +02:00
Abdallah Ammar	333d8a551c	v0 tc integ numericall with DGEMM	2023-04-21 20:50:00 +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	7e617bee13	COLLAPSE	2023-03-28 13:24:28 +02:00
Abdallah Ammar	4a23b63a42	Merge branch 'dev-stable' into dev-stable-tc-scf	2023-03-04 14:33:43 +01:00
Abdallah Ammar	6e7ca02ed1	bi_ort_ints: combined	2023-03-04 02:31:04 +01:00
eginer	b2e43b7995	minor changes in documentations of mo_bi_orth_bipole	2023-02-27 11:44:35 +01:00
eginer	2ec8b1f34c	added missing bi_ort_ints	2023-02-07 13:27:19 +01:00