340 Commits

Author	SHA1	Message	Date
Yann Garniron	8da0509c5e	Massively parallel selection	2016-08-01 16:05:40 +02:00
garniron	b3df66cd89	Merge pull request #16 from scemama/develop ... Develop	2016-07-29 10:50:02 +02:00
Anthony Scemama	42a5b96b0d	Added Energy to qp_run	2016-07-28 18:53:24 +02:00
Yann Garniron	09cd6ddd26	unresolved conflict	2016-07-27 16:10:02 +02:00
Yann Garniron	e2e28fb301	merge with scemama/develop	2016-07-27 16:06:44 +02:00
Yann Garniron	f89041a445	integral driven d1	2016-07-27 14:50:31 +02:00
Anthony Scemama	e681b7c37d	task server with pub socket	2016-07-26 18:29:52 +02:00
Yann Garniron	993517cef0	simple N^4 integral map - integral driven d0	2016-07-25 17:12:26 +02:00
Yann Garniron	a117ac1a6b	ready for integral driven version - dirty copypastas	2016-07-25 14:10:28 +02:00
Yann Garniron	98ecbb8a25	Merge branch 'my-temporary-work' into fci_zmq	2016-07-21 15:31:38 +02:00
Yann Garniron	03958d15a4	experimental - reversed past and futur	2016-07-21 15:28:22 +02:00
Yann Garniron	f0bb2fe8fb	reversed past and futur	2016-07-21 14:29:38 +02:00
Yann Garniron	418190168e	forgot to add selection_types.f90	2016-07-21 13:30:10 +02:00
Yann Garniron	8f30f0d4e0	pt2	2016-07-21 13:24:25 +02:00
Yann Garniron	7ff61ed5aa	faster create_microlist_double	2016-07-19 15:17:44 +02:00
Yann Garniron	bf1248eb86	working - no pt2	2016-07-19 15:00:20 +02:00
Yann Garniron	59ace2439e	in progress - define number of determinants to add	2016-07-19 10:15:26 +02:00
Anthony Scemama	c9d6f89aa8	Change in MRCC_utils	2016-07-18 16:22:42 +02:00
Yann Garniron	6f63767823	in progress - iterations	2016-07-13 18:12:25 +02:00
Yann Garniron	32e911cea8	union microlist	2016-07-13 13:17:26 +02:00
Yann Garniron	ece06c79ae	actually working except for ZMQ...	2016-07-13 11:32:31 +02:00
Anthony Scemama	d49776cad7	Travis did not compile	2016-07-13 09:06:06 +02:00
Anthony Scemama	0c30dc29d3	Corrected norm in MRCC	2016-07-13 01:10:36 +02:00
Yann Garniron	1dff7b5426	working except for ZMQ	2016-07-12 14:29:17 +02:00
Yann Garniron	59cf09ad65	init	2016-07-11 12:36:58 +02:00
Anthony Scemama	862883cbde	Merge branch 'garniron-master' into develop	2016-07-07 13:31:29 +02:00
Anthony Scemama	dd441417e8	Merge branch 'master' of https://github.com/garniron/quantum_package into garniron-master ... Conflicts: config/ifort.cfg data/pseudo/tn_df plugins/MRCC_Utils/H_apply.irp.f src/Determinants/H_apply_zmq.template.f src/Determinants/davidson.irp.f src/Utils/LinearAlgebra.irp.f	2016-07-07 13:30:58 +02:00
Anthony Scemama	dccd92d351	Minilist	2016-07-07 12:48:07 +02:00
Yann Garniron	ee257c3d6f	merge with LCPQ	2016-07-06 16:15:47 +02:00
Yann Garniron	1bc8bb0a06	added lambda_type	2016-07-06 15:53:16 +02:00
Yann Garniron	6481083bc3	N_states > 1	2016-07-06 15:43:21 +02:00
Anthony Scemama	4b56ae9a3f	Merge branch 'LCPQ-master'	2016-07-06 11:30:47 +02:00
Yann Garniron	e319cb7f1d	ref-dependent amplitudes	2016-07-06 11:28:52 +02:00
Anthony Scemama	8e02fe0497	Selection criterion fixed in var_pt2_ratio	2016-07-05 14:03:03 +02:00
Anthony Scemama	2d0c39edc9	Avoid NaN	2016-06-20 17:09:39 +02:00
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
Anthony Scemama	ff391db161	mmap seems OK	2016-06-16 12:47:08 +02:00
Yann Garniron	d55b0a0b5e	lambda using matrix products	2016-06-16 11:58:59 +02:00
Anthony Scemama	ac40124ac6	Move mmap.f90	2016-06-15 14:23:19 +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
Anthony Scemama	39366f7ec1	mmap works for integrals	2016-06-14 13:59:05 +02:00
Yann Garniron	9b23430872	reactivated microlists	2016-06-14 09:22:32 +02:00
Anthony Scemama	6dbbd976cf	Dressed dmc	2016-06-13 10:29:47 +02:00
Anthony Scemama	1bb1575da2	Merge pull request #167 from scemama/master ... OpenMP Bug corrected	2016-06-06 23:30:11 +02:00
Anthony Scemama	f00f11830e	Upgraded ZeroMQ	2016-06-06 10:56:28 +02:00
Anthony Scemama	c551af4de6	Merge branch 'master' of github.com:scemama/quantum_package	2016-06-06 09:32:44 +02:00