365 Commits

Author	SHA1	Message	Date
Anthony Scemama	fac640e39c	Patched apply_hole for temporary recompilation	2016-09-11 22:42:05 +02:00
Anthony Scemama	15157fa0c9	Merge branch 'develop' of github.com:scemama/quantum_package into develop	2016-09-09 19:38:45 +02:00
Anthony Scemama	5610a2f2c2	Merge pull request #37 from garniron/fci_integral ... Fci integral	2016-09-09 19:38:31 +02:00
Anthony Scemama	5e7d914f4d	Added -q to qp_set_frozen_core	2016-09-09 19:31:30 +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	741b5deaba	removed debug checks	2016-09-08 12:27:37 +02:00
Yann Garniron	2b35d4b863	working debug version	2016-09-08 10:12:28 +02:00
Yann Garniron	418c096af7	Full_CI was missing from Full_CI_ZMQ children modules	2016-09-06 09:19:54 +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	732fa657f0	pseudo	2016-08-05 23:51:24 +02:00
Anthony Scemama	0119fd9396	Multi-state	2016-08-05 23:42:54 +02:00
Anthony Scemama	807c7b8ce6	Lambda-free MRCC now works	2016-08-05 17:53:20 +02:00
Anthony Scemama	d89b82045c	Added S^2 to MRCC	2016-08-04 15:17:01 +02:00
Anthony Scemama	8b530a6db6	Added PT2 to FCI ZMQ	2016-08-04 15:15:14 +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	cfaf2e14e0	Added rho in MRCC-nolambda	2016-08-02 14:03:34 +02:00
Anthony Scemama	33f5f44fe5	Refactoring MRCC	2016-08-02 13:45:17 +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
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