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Author	SHA1	Message	Date
Anthony Scemama	21a9b30d2d	Added Zmatrix module	2016-09-08 22:40:58 +02:00
Yann Garniron	e78f316936	changed phasemask representation	2016-09-08 17:34:56 +02:00
Emmanuel Giner	9121d1a604	corrected bugs in fock for MRPT	2016-09-08 15:48:52 +02:00
Yann Garniron	90b84581b0	enforced electron pair ban	2016-09-08 15:22:09 +02:00
Emmanuel Giner	a6dced35ac	strange things in MRPT	2016-09-08 12:28:02 +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
Emmanuel Giner	d5a76190ca	Good Dyall Hamiltonian	2016-09-07 14:49:52 +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
Emmanuel Giner	dbf894a99a	mrpt new with multi state version	2016-09-01 17:43:33 +02:00
Yann Garniron	db3c8bb87b	init - not working	2016-09-01 14:43:13 +02:00
Emmanuel Giner	6ebeae0a10	MRPT2 new with separated classes	2016-08-30 18:10:44 +02:00
Emmanuel Giner	8aebbd02cc	New PT2 with dressed matrix is working on H2	2016-08-30 14:10:52 +02:00
Emmanuel Giner	3f11982d10	minor bug fixed in new mrpt2	2016-08-26 20:06:43 +02:00
Emmanuel Giner	35e4e5fde3	forgot the pt2_new.irp.f	2016-08-26 18:01:41 +02:00
Emmanuel Giner	0075d01bd9	New perturbation theory is working	2016-08-26 18:00:49 +02:00
Emmanuel Giner	78254c68c9	Formally finished to code the MRPT_Utils	2016-08-24 16:43:01 +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
garniron	8fdea430a9	Merge pull request #17 from scemama/develop ... Develop	2016-08-03 08:28:37 +02:00
Anthony Scemama	c30ceed47d	Merge branch 'develop' of github.com:scemama/quantum_package into develop	2016-08-03 00:19:37 +02:00
Anthony Scemama	ff2dcf069e	Multiple generators per task	2016-08-03 00:18:53 +02:00
Anthony Scemama	a6fa9ddd88	Accelerated queue	2016-08-02 17:44:41 +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
Anthony Scemama	eaee625df4	Almost working	2016-08-01 17:34:36 +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	f1d5782aef	Little optimizations	2016-07-27 14:05:51 +02:00
Anthony Scemama	e681b7c37d	task server with pub socket	2016-07-26 18:29:52 +02:00
Anthony Scemama	91e412c783	Optim pseudos	2016-07-25 21:00:27 +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