27 Commits

Author	SHA1	Message	Date
Anthony Scemama	2472e63bd5	Removed parallelism in old selection	2017-12-08 10:48:09 +01:00
Anthony Scemama	a3e2292b8e	Merge with Dr. Giner	2016-11-02 21:46:12 +01:00
Emmanuel Giner	6ebeae0a10	MRPT2 new with separated classes	2016-08-30 18:10:44 +02:00
Yann Garniron	e2e28fb301	merge with scemama/develop	2016-07-27 16:06:44 +02:00
Yann Garniron	59ace2439e	in progress - define number of determinants to add	2016-07-19 10:15:26 +02:00
Yann Garniron	ee257c3d6f	merge with LCPQ	2016-07-06 16:15:47 +02:00
Yann Garniron	33bd506328	working mrcc	2016-05-20 09:44:22 +02:00
Emmanuel Giner	f030c4b6fe	Merged with LCPQ	2016-03-14 16:12:25 +01:00
Emmanuel Giner	ac8e530372	FOBO-SCF executable works	2016-03-11 23:27:39 +01:00
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Emmanuel Giner	bc6c26fb73	Add the FOBOCI routines	2016-02-17 17:15:54 +01:00
Emmanuel Giner	92dd252be0	added the All_singles module	2016-02-16 11:14:19 +01:00
Anthony Scemama	3aaa879d8a	Merge branch 'microlist' of https://github.com/garniron/quantum_package into garniron-microlist ... Conflicts: ocaml/qp_edit.ml	2016-01-05 01:38:35 +01:00
Yann Garniron	aa6d4c23a5	cleaning	2016-01-03 10:07:03 +01:00
Yann Garniron	9a515ed0b6	better microlist	2015-12-17 22:06:57 +01:00
Anthony Scemama	53ba951186	Added canonical orthogonalization and accelerated Tasks	2015-12-09 18:53:38 +01:00
Anthony Scemama	3d7687e3c3	Accelerated diagonal element calculations in PT2	2015-11-24 17:01:09 +01:00
Anthony Scemama	5d253ea84b	Accelerated diag_h_mat_elem	2015-11-20 22:11:22 +01:00
Anthony Scemama	26d02019ed	Added MP2 wave function	2015-11-20 13:03:15 +01:00
Yann Garniron	cad30f56f9	connected_to_ref	2015-10-25 21:23:12 +01:00
Yann Garniron	0232df92af	Merging and update doc	2015-10-23 10:00:24 +02:00
Yann Garniron	acaa0c7636	Merging	2015-10-23 09:51:43 +02:00
Yann Garniron	b6000270ca	tri alpha/beta simple pour filter_connected_davidson	2015-10-21 15:50:15 +02:00
Anthony Scemama	adbfd7c90e	bit_kind	2015-10-17 16:19:50 +02:00
Yann Garniron	bbbc72341a	minilist primitive/tri par alpha en cours	2015-10-16 13:06:19 +02:00
Manu	69250d7a2e	Minor modiffs	2015-07-15 14:01:06 +02:00
Thomas Applencourt	5f0883c05c	Fix cache_compile.py and ninja make all the binary	2015-05-28 12:03:14 +02:00