107 Commits

Author	SHA1	Message	Date
Anthony Scemama	4cbe630ec5	Add many call provide in TC	2023-09-22 16:26:58 +02:00
Anthony Scemama	4f78610432	Fix locks in openmp	2023-09-20 15:16:10 +02:00
AbdAmmar	4a335102a1	OPTIM E_3e for TCSCF	2023-09-18 12:03:29 +02:00
AbdAmmar	dbaee4c859	DGEMM for noL_1e	2023-09-17 16:41:20 +02:00
AbdAmmar	06871d4041	DGEMM for noL_2e	2023-09-16 14:31:52 +02:00
AbdAmmar	babf1c0da4	noL tested for Ne and O	2023-09-16 00:28:18 +02:00
AbdAmmar	b26f7e7fe6	Fixed Conflict	2023-09-15 11:37:11 +02:00
AbdAmmar	677b58ae61	noL dredding	2023-09-12 21:00:56 +02:00
AbdAmmar	e288c40d8b	NO: L1 & L2 added and tested	2023-09-12 16:52:58 +02:00
AbdAmmar	a88730f10f	NO-L0 V0	2023-09-12 11:57:38 +02:00
AbdAmmar	3270602419	REDUCED NB OF DGEMM IN NORMAL_OREDER TABLE	2023-09-07 21:13:57 +02:00
AbdAmmar	7076fcd202	normal order V2 FROZEN CORE	2023-09-06 19:52:53 +02:00
AbdAmmar	923b0703bb	Merge pull request #303 from AbdAmmar/dev-stable-tc-scf ... Dev stable tc scf	2023-07-03 01:49:00 +02:00
AbdAmmar	b39daa53c4	added keywords for r1 grid	2023-07-02 21:49:25 +02:00
AbdAmmar	87b05b798b	clean in PROVIDERS	2023-07-02 15:29:21 +02:00
AbdAmmar	727c70c0fa	\int dr2 phi_i(r2) phi_j(r2) u(r12) v_1b(r2)	2023-07-02 00:19:17 +02:00
Emmanuel Giner LCT	d4b0312414	removed UGLY NON ASCII CHARACTERS	2023-06-29 18:31:48 +02:00
AbdAmmar	bd8218a876	DUMP for TCHint added	2023-06-28 18:57:41 +02:00
AbdAmmar	6f0faaccdb	Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf	2023-06-24 18:55:45 +02:00
Abdallah Ammar	b88437b6b3	minor modif	2023-06-24 18:54:32 +02:00
AbdAmmar	49066b2125	Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf	2023-06-22 22:07:26 +02:00
Abdallah Ammar	3940eaeb78	BI-AO --> BI-MO with DGEMM	2023-06-22 22:04:57 +02:00
Abdallah Ammar	5a5071f248	fixed bug in nucl_aos	2023-06-22 18:26:52 +02:00
AbdAmmar	45f7d69e70	Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf	2023-06-21 10:44:45 +02:00
AbdAmmar	466741259e	minor modif in non-sym Dav	2023-06-21 10:44:37 +02:00
AbdAmmar	fca309a5b2	Merge pull request #19 from QuantumPackage/dev-stable ... Dev stable	2023-06-20 20:16:16 +02:00
Anthony Scemama	09c2b420c9	Merge branch 'dev-stable-tc-scf' into dev-stable	2023-06-15 09:24:48 +02:00
Abdallah Ammar	373c463033	Normal Ordering: Enhanced //	2023-06-10 18:09:20 +02:00
Abdallah Ammar	93adc8d6c1	no aaa //	2023-06-10 11:57:28 +02:00
Abdallah Ammar	92a72a0968	no aab //	2023-06-10 11:38:41 +02:00
Abdallah Ammar	d9921922fc	NO aba // ok	2023-06-10 11:24:06 +02:00
Abdallah Ammar	6e31ca280d	// in Norm_Ord	2023-06-10 10:42:32 +02:00
Abdallah Ammar	374a88bc62	normal ordering with DGEMM: OK	2023-06-08 15:51:52 +02:00
Abdallah Ammar	aafca191f1	normal ordering: aaa-DGEMM OK	2023-06-05 20:59:34 +02:00
Abdallah Ammar	b0da0ac04d	normal ordering: aab-DGEMM OK	2023-06-05 16:08:46 +02:00
Abdallah Ammar	3a5dd05d7e	NO: working on AAB contractions	2023-06-05 15:13:18 +02:00
Abdallah Ammar	4712836349	normal ordering: aba-DGEMM OK	2023-06-05 11:17:08 +02:00
Abdallah Ammar	b48e6b269d	start optim normal ordering	2023-06-05 01:33:55 +02:00
Emmanuel Giner	592a60b94b	Merge pull request #289 from QuantumPackage/dev-stable ... Improve 5idx	2023-06-04 13:12:47 +02:00
Abdallah Ammar	501b9d6487	minor modifs	2023-06-04 09:58:29 +02:00
Abdallah Ammar	a791a28523	working on memory footprint	2023-06-04 09:19:34 +02:00
Abdallah Ammar	072bea8041	Improve 4idx	2023-06-03 22:12:30 +02:00
Abdallah Ammar	381c98c3ca	Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf	2023-06-02 20:55:54 +02:00
Abdallah Ammar	cab3b12b9b	minor modif in names	2023-06-02 20:55:51 +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
Abdallah Ammar	6a7c33aa39	Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf ... Conflicts: src/tc_bi_ortho/tc_utils.irp.f	2023-06-02 20:31:34 +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	c1aa154b45	Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf	2023-06-02 20:19:31 +02:00
Abdallah Ammar	107cc3f2fb	fixed bug in TC-VAR	2023-06-02 20:19:25 +02:00