24 Commits

Author	SHA1	Message	Date
Anthony Scemama	1896d9c45f	Reduced RAM in F12	2019-03-29 19:01:51 +01:00
Anthony Scemama	0321b53ec3	F12CI with parallel dressing	2019-03-28 10:32:54 +01:00
Anthony Scemama	f77b7f07d5	Matrix product in batches	2019-03-28 09:37:43 +01:00
Anthony Scemama	69faafb6f7	FCIF12 OK for 2 electrons	2019-03-26 18:02:22 +01:00
Anthony Scemama	0e34cde735	Generalized F12	2019-03-26 10:38:50 +01:00
Anthony Scemama	97eacaba23	Generalized bitstrings	2019-03-26 01:20:17 +01:00
Anthony Scemama	b28212a959	Added Bitstring	2019-03-25 19:28:38 +01:00
Anthony Scemama	99f5fe0aef	F12 matrix built as a stream	2019-03-25 16:50:36 +01:00
Anthony Scemama	e63bec19d1	Fixed expo_s and gamma	2019-03-25 15:47:44 +01:00
Anthony Scemama	7fbab4236f	F12 seems ok	2019-03-25 15:20:01 +01:00
Anthony Scemama	075455fc9c	Fixed bug in F12 integrals	2019-03-25 10:54:23 +01:00
Anthony Scemama	e21aea2b16	Merged	2019-03-25 09:17:13 +01:00
Anthony Scemama	48939ed7cf	Fixed open shells CAS	2019-03-23 15:54:46 +01:00
Anthony Scemama	0a6b8e30a4	Fixed f12 integrals	2019-03-23 14:54:59 +01:00
Anthony Scemama	494b0a2e3c	Searching bug in CAS+EN2	2019-03-23 01:06:38 +01:00
Anthony Scemama	2735688efe	Davidson F12CI OK	2019-03-22 23:42:35 +01:00
Anthony Scemama	b40a9b8db8	Working n F12	2019-03-22 22:42:20 +01:00
Anthony Scemama	29ddf41c0b	F12 almost working	2019-03-22 19:15:59 +01:00
Anthony Scemama	dc50c99b43	Introduced reference PT2 energy	2019-03-22 18:16:41 +01:00
Anthony Scemama	e09a9011e4	F12-FCI maybe works	2019-03-22 00:34:00 +01:00
Anthony Scemama	0d935ea354	Not working yet	2019-03-21 21:48:21 +01:00
Anthony Scemama	a181c0ff7b	F12 amplitudes programmed	2019-03-21 16:44:24 +01:00
Anthony Scemama	8e7107cfba	Working on F12	2019-03-21 11:02:58 +01:00
Anthony Scemama	3874dd1d95	Moved 4-idx into FourIndex.mli	2019-03-21 00:44:10 +01:00