49 Commits

Author	SHA1	Message	Date
Anthony Scemama	d1507c937a	Optimized selection	2017-02-01 20:49:21 +01:00
Anthony Scemama	b6b8f7bcba	Accelerated selection	2017-02-01 18:57:20 +01:00
Anthony Scemama	f56246b456	Merge branch 'master' of github.com:scemama/quantum_package	2017-02-01 11:29:38 +01:00
Anthony Scemama	cdd59910ff	Corrected for use with new irpf90	2017-01-31 21:48:47 +01:00
Anthony Scemama	097083db47	Repaired selection	2017-01-30 09:38:04 +01:00
Anthony Scemama	b08ced8741	Simplification	2017-01-25 18:52:44 +01:00
Anthony Scemama	9e73ed6b1c	Efficient fragmentation	2017-01-25 17:42:25 +01:00
Anthony Scemama	27dd2420dd	Bugs+fragments	2017-01-25 16:24:02 +01:00
Yann GARNIRON	042024f424	teeth filling	2017-01-18 08:42:17 +01:00
Yann Garniron	4908a68983	fixed fragmentation	2017-01-13 08:15:36 +01:00
Yann Garniron	28f1c57697	removed single selection	2017-01-12 17:34:42 +01:00
Yann Garniron	414a798168	merge with MASTER	2017-01-12 16:48:34 +01:00
Yann Garniron	9e11ebdc72	Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master ... Conflicts: plugins/Full_CI_ZMQ/selection_double.irp.f src/Davidson/diagonalization_hs2.irp.f	2017-01-12 16:19:39 +01:00
Yann Garniron	fb1fa1af38	hard-coded fragmentation of first generators	2017-01-12 15:09:27 +01:00
Yann Garniron	aebc386a3e	removed selection_single	2016-11-21 13:45:32 +01:00
Anthony Scemama	ab7735e3f3	Accelerated (7%) access to integrals in PT2	2016-11-04 19:15:45 +01:00
Anthony Scemama	4aec6f2f00	Gained 10% by merging selection files	2016-11-04 18:39:36 +01:00
Yann Garniron	71c84f78f1	cleaning + microlisted splash_pq	2016-10-04 15:08:13 +02:00
Yann Garniron	77f34c67ad	some cleaning	2016-10-04 09:52:41 +02:00
Anthony Scemama	80805e7abc	N_det_generators <= N_det_selectors	2016-09-27 09:28:34 +02:00
Anthony Scemama	72bff78dba	Normalize in input of Davidson	2016-09-26 20:34:16 +02:00
Yann Garniron	e78f316936	changed phasemask representation	2016-09-08 17:34:56 +02:00
Yann Garniron	90b84581b0	enforced electron pair ban	2016-09-08 15:22:09 +02:00
Yann Garniron	2b35d4b863	working debug version	2016-09-08 10:12:28 +02:00
Yann Garniron	497a6a0f29	removed prints	2016-09-05 17:18:01 +02:00
Yann Garniron	18084047e4	compiles - does not work	2016-09-05 17:16:09 +02:00
Yann Garniron	db3c8bb87b	init - not working	2016-09-01 14:43:13 +02:00
Anthony Scemama	ff2dcf069e	Multiple generators per task	2016-08-03 00:18:53 +02:00
Anthony Scemama	76f2953a02	Select doubles before singles in zmq	2016-08-02 17:23:39 +02:00
Anthony Scemama	eb15a392be	No more davidson on clients	2016-08-01 23:08:22 +02:00
Anthony Scemama	2dd38c0bdb	Corrected linger bug	2016-08-01 20:31:23 +02:00
Anthony Scemama	36a6bd01c6	Removed prints	2016-08-01 20:03:46 +02:00
Yann Garniron	3bd401513d	Bugs	2016-08-01 17:15:03 +02:00
Yann Garniron	8da0509c5e	Massively parallel selection	2016-08-01 16:05:40 +02:00
Yann Garniron	f89041a445	integral driven d1	2016-07-27 14:50:31 +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	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
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
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