255 Commits

Author	SHA1	Message	Date
Yann Garniron	f8ece7d40b	added OMP - excitations as integer2	2016-05-20 11:27:39 +02:00
Yann Garniron	33bd506328	working mrcc	2016-05-20 09:44:22 +02:00
Yann Garniron	55138005a0	mrcc 2nd version - not working	2016-05-13 19:28:50 +02:00
Yann Garniron	a19543f6c7	alpha = triple-quadruple	2016-05-04 18:23:05 +02:00
Yann Garniron	d019657001	extra thread for collector	2016-05-04 17:30:55 +02:00
Yann Garniron	682d2b8f1e	fixed phases - no more isInCassd	2016-05-03 17:55:41 +02:00
garniron	6682cfad2d	Merge pull request #13 from scemama/master ... merge with scemama	2016-05-03 13:11:11 +02:00
Yann Garniron	f7b4a19adf	better isInCassd	2016-05-03 11:34:03 +02:00
Anthony Scemama	1354ab86fb	Optim MRCC + davidson	2016-05-02 17:06:18 +02:00
Anthony Scemama	d35d555eda	Davidson thresold	2016-05-02 10:31:57 +02:00
Yann Garniron	23780fb7a9	forgot file	2016-04-29 16:28:12 +02:00
Yann Garniron	174b5d006e	optimized	2016-04-29 16:23:20 +02:00
Yann Garniron	eddc87531e	zmq mrsc2 - bad granularity	2016-04-28 09:55:07 +02:00
Yann Garniron	39f7631abc	working mrsc2	2016-04-26 17:27:21 +02:00
Yann Garniron	07077cf883	faster mrsc2	2016-04-15 15:16:46 +02:00
Yann Garniron	7538187cf5	faster mrcepa0	2016-04-15 09:16:31 +02:00
Yann Garniron	65cdad8f18	dirty - noiter version	2016-04-11 17:43:02 +02:00
Anthony Scemama	ac58cfd0ce	Forgot files	2016-04-11 10:48:36 +02:00
Anthony Scemama	0821e76995	Extract CAS	2016-04-11 10:39:27 +02:00
Yann Garniron	35d75d36a3	bug in delta_cas	2016-04-10 12:32:11 +02:00
Yann Garniron	2774af5bbd	experimental - OLD_LAMBDA and NO_MONO_DRESSING	2016-04-08 13:25:55 +02:00
Yann Garniron	f2fef4a6dc	added pt2 to mrsc2/mrcepa0	2016-04-07 17:54:13 +02:00
Yann Garniron	4298ab6ab0	bug in lambda_mrcc	2016-04-07 11:13:14 +02:00
Anthony Scemama	3298edad85	Removed normalization of psi_ref in lambda_MRCC	2016-04-07 10:55:21 +02:00
garniron	690dfb5bb6	Merge pull request #12 from scemama/master ... merge with scemama	2016-04-05 11:23:12 +02:00
Yann Garniron	a843dae541	fixed openmp + support for N_int and N_states > 1	2016-04-04 15:51:32 +02:00
Anthony Scemama	d20c63f0fe	Forgot H_apply	2016-04-01 23:46:24 +02:00
Anthony Scemama	27b7c34106	MRCC+PT2	2016-04-01 23:33:58 +02:00
Yann Garniron	cdb87937c8	added missing files	2016-04-01 23:31:48 +02:00
Yann Garniron	340b89b754	removed test leftover in mrsc2	2016-04-01 14:29:06 +02:00
Yann Garniron	48cb3b3ddc	different binaries for mrcepa0/mrsc2/mrsc2sub + corrected reversed index in mrcc_utils	2016-04-01 12:00:03 +02:00
Anthony Scemama	dd8647d5aa	Introduced provider for psi_ref_coef_normalized	2016-04-01 01:32:23 +02:00
Anthony Scemama	3b2735886e	Test in lambda	2016-04-01 00:05:44 +02:00
Yann Garniron	993a034f07	Merge branch 'master' into mrcepa0	2016-03-31 17:16:58 +02:00
Anthony Scemama	1ae3e9b5f4	Official Lambda_MRCC	2016-03-31 16:48:23 +02:00
Yann Garniron	306a86d33b	Merge branch 'master' into mrcepa0 ... Conflicts: ocaml/.gitignore ocaml/qp_edit.ml plugins/MRCC_Utils/mrcc_utils.irp.f	2016-03-31 11:57:19 +02:00
Anthony Scemama	39d4186d28	Removed extra MRCC iteration	2016-03-31 11:51:25 +02:00
Anthony Scemama	2cd7922b81	changed lambda mrcc	2016-03-31 10:59:46 +02:00
Anthony Scemama	c05bbc8758	Corrected MRCC bug ... Conflicts: plugins/MRCC_Utils/mrcc_utils.irp.f	2016-03-31 10:51:09 +02:00
Yann Garniron	1469822e94	corrected bug in MRCC	2016-03-31 10:40:39 +02:00
Anthony Scemama	71e7c51608	Added mrcc_noiter	2016-03-30 21:34:53 +02:00
Anthony Scemama	a196526f8c	Improved MRCC	2016-03-30 21:33:38 +02:00
Yann Garniron	c7de30e580	microlist for MRCC	2016-03-30 17:37:22 +02:00
Anthony Scemama	c504518542	MRCC acceleration	2016-03-29 23:18:26 +02:00
Anthony Scemama	a6911ff85b	Fixed compilation	2016-03-29 21:16:40 +02:00
Anthony Scemama	37f091845c	Updated lambda MRCC	2016-03-29 14:13:02 +02:00
Yann Garniron	cda419d0f7	added missing files	2016-03-11 20:26:50 +01:00
Yann Garniron	7f583946c2	experimental mrcepa0/mrsc2	2016-03-11 19:35:57 +01:00
Anthony Scemama	6b3ba6a99e	Fixed QMCPACK bugs (Issue #154)	2016-03-07 20:13:43 +01:00
TApplencourt	92094534e2	Fix qmc pack converter	2016-03-07 10:51:11 +01:00