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Commit Graph

19 Commits

Author SHA1 Message Date
257d7004aa OpenMP in save_MRCC_wf 2018-07-25 01:13:04 +02:00
Yann Garniron
5b60b4bee1 syntax error in Generators_CAS 2018-06-12 14:44:32 +02:00
Yann Garniron
d903d43443 psi_det_sorted_gen 2018-05-25 17:40:27 +02:00
c9416a5a68 Comment to clarify Selectors_CASSD 2018-02-28 16:12:46 +01:00
005137061e @eginer 's generators_CAS 2018-02-28 15:28:34 +01:00
a68f3bb909 Fixed travis 2018-01-05 18:15:34 +01:00
2fd46841ae Fixed selection CASSD slave 2017-05-23 19:30:51 +02:00
98f3692f4c Merged scemama-master 2017-04-20 19:18:16 +02:00
Anthony Scemama
a2750bb55c Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
Emmanuel Giner
8c6bb03a23 Fixed the perturbation with psi_ref instead of psi_det 2016-11-25 23:07:45 +01:00
dd60cda0ee --amend 2016-09-22 12:15:20 +02:00
f52e877f7c CISD save energy 2015-09-11 15:30:44 +02:00
2d493fe9c0 MRCC Manu 2015-09-08 15:29:05 +02:00
Manu
3e3c0567e1 MRCC is ok with selected excitation operators 2015-07-20 14:19:11 +02:00
05124ab5d4 Cleaned MRCC in MRCC_Utils 2015-07-13 18:00:38 +02:00
Manu
12e81de1c7 MRCC converges with tiny matrixes 2015-07-03 19:19:44 +02:00
Thomas Applencourt
39aca82195 Modify gitignore 2015-06-25 16:52:08 +02:00
Thomas Applencourt
84178ec68c Maj doc for CID 2015-06-25 10:34:53 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00