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Author	SHA1	Message	Date
Yann Garniron	df83a33cac	renormalize x_new	2016-06-20 15:02:47 +02:00
Yann Garniron	c7f96406b3	bug in dIj - unsorted index	2016-06-20 14:09:40 +02:00
Yann Garniron	0e18a2790b	parallel AtA*X	2016-06-20 10:52:54 +02:00
Yann Garniron	d55b0a0b5e	lambda using matrix products	2016-06-16 11:58:59 +02:00
Yann Garniron	79cbe7b7f1	slow but working experimental lambda	2016-06-15 10:07:00 +02:00
Yann Garniron	8be7b96633	experimental lambda mrcc	2016-06-14 15:26:50 +02:00
Yann Garniron	5db286b027	experimental lambda	2016-06-14 14:37:46 +02:00
Yann Garniron	9b23430872	reactivated microlists	2016-06-14 09:22:32 +02:00
Yann GARNIRON	d296285946	changes in lambda	2016-06-03 16:45:11 +02:00
Yann Garniron	acc8a8bb7e	dirty - corrected mrcepa/mrcc final PT2	2016-06-02 12:47:35 +02:00
Yann GARNIRON	42dc213725	corrected mrcc for lage systems	2016-05-27 14:48:27 +02:00
Yann GARNIRON	39618c4300	corrected mrsc2 for large systems	2016-05-26 13:52:48 +02:00
Yann Garniron	c7c3e9d64b	corrected OMP	2016-05-20 12:28:20 +02:00
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
Anthony Scemama	68247ee14a	Repaired qp_ao_ints	2016-04-19 20:34:43 +02:00
Anthony Scemama	1013b6f7f7	Replaced PUSH/PULL by REQ/REP	2016-04-18 12:51:50 +02:00
Anthony Scemama	eec834be96	Print mask	2016-04-16 21:18:38 +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	4dda44e324	Added swap_mos program	2016-04-04 12:43:50 +02:00
Anthony Scemama	f0fc7dd39f	Fixed tests	2016-04-02 00:10:27 +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