25 Commits

Author	SHA1	Message	Date
Anthony Scemama	72307bcec8	[@tailcall] statements	2019-09-10 18:39:14 +02:00
Anthony Scemama	f88409bfbd	F12 almost OK	2019-05-27 17:35:28 +02:00
Anthony Scemama	76627c5e95	Accelerated 4idx	2019-04-05 17:05:04 +02:00
Anthony Scemama	37ccd24d3e	Accelerated 4idx	2019-04-05 16:54:38 +02:00
Anthony Scemama	ee98fbb33a	Compressed integrals	2019-04-05 15:36:47 +02:00
Anthony Scemama	0e34c3adca	Separated 4, 3 and 2-idx integrals	2019-04-05 14:36:47 +02:00
Anthony Scemama	a0b84249ec	Accelerated direct FCI	2019-04-05 10:34:47 +02:00
Anthony Scemama	1a4677dc19	4-idx node-only	2019-04-04 09:14:15 +02:00
Anthony Scemama	4a6f23dcdd	Added SharedMemory	2019-04-01 15:20:17 +02:00
Anthony Scemama	33387b6c24	Memory mapped 4idx	2019-03-29 17:38:19 +01:00
Anthony Scemama	0e34cde735	Generalized F12	2019-03-26 10:38:50 +01:00
Anthony Scemama	dc50c99b43	Introduced reference PT2 energy	2019-03-22 18:16:41 +01:00
Anthony Scemama	3874dd1d95	Moved 4-idx into FourIndex.mli	2019-03-21 00:44:10 +01:00
Anthony Scemama	e250864a19	Minor changes	2019-01-15 15:18:01 +01:00
Anthony Scemama	4f41af9e31	Four-idx transformation	2018-07-20 16:10:20 +02:00
Anthony Scemama	955f9d014b	Added tests for AOBasis	2018-07-05 00:39:44 +02:00
Anthony Scemama	871cb2b6d8	Accelerated SCF	2018-07-04 18:42:26 +02:00
Anthony Scemama	26bcd62db4	Added small_core function	2018-07-04 18:08:38 +02:00
Anthony Scemama	f94a5ac268	Nuclei for T2	2018-06-29 16:04:40 +02:00
Anthony Scemama	8ded68a447	Added stream in Four_idx	2018-06-28 14:43:24 +02:00
Anthony Scemama	e4a3e1da97	Fixed overflow in Boys function	2018-06-27 13:13:59 +02:00
Anthony Scemama	63f0b379de	Accelerated FourIdxStorage	2018-06-01 10:26:22 +02:00
Anthony Scemama	15390759f9	Accelerated RHF	2018-05-31 18:50:34 +02:00
Anthony Scemama	f4f31db614	Changed integral storage to Float32	2018-03-27 19:32:37 +02:00
Anthony Scemama	ab7abda328	Cleaning in ERI	2018-03-27 16:31:44 +02:00