15 Commits

Author	SHA1	Message	Date
Anthony Scemama	45cafb9000	Removed do_pt2_end for do_pt2	2017-06-26 19:12:44 +02:00
Anthony Scemama	c9cf03479a	Merge some changes	2017-04-20 18:38:31 +02:00
Anthony Scemama	a3e2292b8e	Merge with Dr. Giner	2016-11-02 21:46:12 +01:00
Emmanuel Giner	d13853691a	conflicts minimized for merge	2016-11-02 17:39:39 +01:00
Anthony Scemama	cbdc8f68d7	Corrected diagonalize_CI	2016-09-30 15:12:17 +02:00
Anthony Scemama	c5501ef1f9	Include S^2 inside davidson	2016-09-27 15:55:38 +02:00
Anthony Scemama	72bff78dba	Normalize in input of Davidson	2016-09-26 20:34:16 +02:00
Anthony Scemama	732fa657f0	pseudo	2016-08-05 23:51:24 +02:00
Yann Garniron	59ace2439e	in progress - define number of determinants to add	2016-07-19 10:15:26 +02:00
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Anthony Scemama	782abd92b1	PT2(k), CI_energy(k) in full_ci.irp.f	2016-02-18 11:17:33 +01:00
Emmanuel Giner	6bbc24c1ec	Added the diagonalize_s2 option	2016-02-16 17:43:26 +01:00
Yann Garniron	bbbc72341a	minilist primitive/tri par alpha en cours	2015-10-16 13:06:19 +02:00
Manu	ee81a80368	Beginning the merge with qp old	2015-06-29 10:35:29 +02:00
Thomas Applencourt	6a91e63cf3	Move into plugins	2015-06-17 18:23:56 +02:00