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Author	SHA1	Message	Date
Yann Garniron	727c9a84cd	improved synchronization	2018-05-01 17:43:46 +02:00
Yann Garniron	c2343ae337	removed barrier at end of checkpoint	2018-05-01 15:08:41 +02:00
Yann Garniron	c14fe5b99f	per checkpoint dressing communication - buggy	2018-05-01 13:16:10 +02:00
Yann Garniron	f61661a832	OMP master	2018-04-30 13:25:58 +02:00
Yann Garniron	9966697ab2	real(4) dressing	2018-04-30 09:33:25 +02:00
Yann Garniron	12e527157c	sparse vectors	2018-04-29 17:09:46 +02:00
Yann Garniron	274bb043c2	reduce tasks	2018-04-27 12:41:39 +02:00
Yann Garniron	46450f0826	compute sum of alpha2	2018-04-10 14:25:28 +02:00
Yann Garniron	2e3c54e278	fixed custom buffers	2018-04-04 11:32:27 +02:00
Yann Garniron	4aa4c6c96e	custom buffers in dress_zmq	2018-03-30 18:22:14 +02:00
Yann Garniron	de1b5d6874	further small improvements	2018-03-28 16:23:30 +02:00
Yann Garniron	4394c04728	reduced bandwidth and checkpoint updates	2018-03-27 16:22:14 +02:00
Yann Garniron	a865a842d2	undressing with s2_eig	2018-03-26 13:08:26 +02:00
Yann Garniron	611137fad0	undressing without s2_eig	2018-03-23 11:06:52 +01:00
Yann Garniron	2bf17db149	unfinished shifted_bk stochastic selection - no undressing	2018-03-22 14:07:20 +01:00
Yann Garniron	c786e9fe58	shifted_bk_slave	2018-03-21 12:06:26 +01:00
Yann Garniron	8b7cb82cf8	bias when pt2_stoch does full computation	2018-03-20 13:37:05 +01:00
Yann Garniron	a3d7954faf	removed dress_zmq dependency to MRCC_Utils	2018-03-20 12:08:09 +01:00
Yann Garniron	9ca7b74362	removed set_generators_bitmasks_as_holes_and_particles from dress_zmq	2018-03-20 11:54:37 +01:00
Yann Garniron	ade11beb25	corrected bitmask in Full_CI_ZMQ - seemingly working shiftedbk	2018-03-15 17:47:32 +01:00
Anthony Scemama	b29fb01e6f	Trying to fix jbuilder bug in OCaml installation (#65)	2018-03-11 19:30:24 +01:00
Anthony Scemama	5dabd614f8	Bk	2018-03-07 19:01:19 +01:00
Anthony Scemama	b509cb183b	Merge branch 'garniron-alpha_factory'	2018-03-05 17:26:57 +01:00
Anthony Scemama	9fd2a7ef39	Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory ... Conflicts: plugins/dress_zmq/alpha_factory.irp.f plugins/dress_zmq/dress_stoch_routines.irp.f plugins/mrcepa0/mrcc_stoch_routines.irp.f	2018-03-05 17:26:43 +01:00
Anthony Scemama	8f6e7f4a40	Added Bk module	2018-03-05 17:04:26 +01:00
Yann Garniron	bc626377f3	shiftedbk not working - may be removed later	2018-03-05 12:43:31 +01:00
Yann Garniron	1a0f36dfa5	init shiftedbk	2018-03-02 15:29:58 +01:00
Yann Garniron	22b2870b9f	corrected assert(N_states>1)	2018-03-01 11:35:00 +01:00
Anthony Scemama	c9416a5a68	Comment to clarify Selectors_CASSD	2018-02-28 16:12:46 +01:00
Anthony Scemama	005137061e	@eginer 's generators_CAS	2018-02-28 15:28:34 +01:00
Anthony Scemama	ebf96776dd	Fixed Travis	2018-02-27 19:13:31 +01:00
Anthony Scemama	02ff02256d	Merge branch 'alpha_factory' of github.com:garniron/quantum_package	2018-02-26 19:06:11 +01:00
Yann Garniron	2dc927f80a	wrong ezfio variables were set	2018-02-26 14:18:49 +01:00
Yann Garniron	bd767bbb36	i_h_j_s2 - optimization in mrcc_sto	2018-02-26 11:33:32 +01:00
Yann Garniron	4ddeb5c2e5	minilist indices in psi_det	2018-02-23 14:02:51 +01:00
Yann Garniron	bd1aefc567	det_minilist	2018-02-22 15:29:20 +01:00
Yann Garniron	381c985999	mrcc_sto bug for multistate	2018-02-22 14:05:45 +01:00
Yann Garniron	b177ee3f51	missing files + small optimisation	2018-02-22 13:41:11 +01:00
Anthony Scemama	1d2cdbf53d	Merge branch 'master' of github.com:LCPQ/quantum_package	2018-02-21 16:47:05 +01:00
Anthony Scemama	8524f43715	Fixed dependencies in modules	2018-02-21 16:45:51 +01:00
Yann Garniron	ea99cc29b3	working and less slow mrcc_sto	2018-02-20 17:34:51 +01:00
Yann Garniron	5150497318	working but super slow mrcc_sto	2018-02-20 15:51:53 +01:00
Yann Garniron	55a3af4190	Merge branch 'master' of https://github.com/scemama/quantum_package into alpha_factory	2018-02-19 17:16:31 +01:00
Yann Garniron	10ffd8f789	non-working mrcc_sto	2018-02-19 17:15:59 +01:00
Anthony Scemama	187d7dc66f	Moved DavidsonDressed in plugins	2018-02-19 15:14:17 +01:00
Thomas Applencourt	60a55b1215	Add a symlink lib64->lib (#231)	2018-02-16 21:57:20 +01:00
Anthony Scemama	218f39770c	Cleaning	2018-02-16 17:29:24 +01:00
Yann Garniron	95a1cddf43	commented out computation of excitations	2018-02-16 11:50:49 +01:00
Yann Garniron	5bd59241fa	removed duplicate determinants - questionable efficiency	2018-02-15 14:07:20 +01:00
Yann Garniron	a828a1c5c8	PQ leaves in alpha_factory - with duplicate determinants	2018-02-15 13:42:55 +01:00