21 Commits

Author	SHA1	Message	Date
Anthony Scemama	6b6dc3af24	mu_erf propagated from input	2020-05-08 01:12:31 +02:00
Anthony Scemama	ffcccba188	map optimizations	2020-03-26 17:43:11 +01:00
Anthony Scemama	01b56ea5f8	Removed Schwarz screening in f12	2020-02-06 19:36:57 +01:00
Anthony Scemama	2408ef9268	Introduce Schwarz in F12	2020-02-06 18:56:34 +01:00
Anthony Scemama	cd3304aef8	Fixed parser	2020-02-06 11:10:18 +01:00
Anthony Scemama	daa408fc9c	Improved parallelism in F12	2020-02-05 23:32:55 +01:00
Anthony Scemama	6e6ef8df2d	MPI improved and 3-electron F12 optimized	2020-02-05 17:41:57 +01:00
Anthony Scemama	774d977d99	Parallel debugging	2020-02-03 17:35:59 +01:00
Anthony Scemama	b0135a48f4	Merge branch 'master' of lpqlx139:~/QCaml ... Conflicts: MOBasis/HF12.ml	2020-01-23 17:31:18 +01:00
Anthony Scemama	eabc940ab2	Debugging	2020-01-23 17:30:23 +01:00
Anthony Scemama	e9d3d9a1f4	Added Parallel.InterNode	2020-01-23 17:30:01 +01:00
Anthony Scemama	3dcaa33db6	Fixed MPI Broadcast in FCI-f12	2020-01-21 22:31:30 +01:00
Anthony Scemama	b8b1d3e1e0	Array access optimization (4idx)	2020-01-21 21:27:40 +01:00
Anthony Scemama	41cfd3e6d4	Debug	2020-01-21 17:43:59 +01:00
Anthony Scemama	581897a08e	Parallelization in f12	2020-01-13 18:01:47 +01:00
Anthony Scemama	e493eb28cd	Share memory for f12 arrays	2020-01-13 10:54:08 +01:00
Anthony Scemama	a20ec08125	Implemented fast f12 in native code	2020-01-12 00:00:01 +01:00
Anthony Scemama	61ba79ee59	Added three-e contrbutions	2019-11-04 23:51:47 +01:00
Anthony Scemama	286bcaba5a	Cleaned code	2019-10-14 14:16:28 +02:00
Anthony Scemama	dd98ac29fc	FCIF12 OK	2019-10-10 02:01:17 +02:00
Anthony Scemama	8b49ac8f77	Dressed integrals in F12	2019-10-03 16:58:15 +02:00