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Commit Graph

21 Commits

Author SHA1 Message Date
8b530a6db6 Added PT2 to FCI ZMQ 2016-08-04 15:15:14 +02:00
f6369660bd Removed lck 2016-06-06 10:36:23 +02:00
249325b911 OMP PARALLEL BUG 2016-06-06 10:25:19 +02:00
85dfee525b OMP PARALLEL BUG 2016-06-06 10:15:59 +02:00
ac3f5f9893 Updated to zeromq 4.1.4 2016-06-06 10:12:20 +02:00
20a857c446 Distributed PT2 2016-02-19 00:20:28 +01:00
Emmanuel Giner
6bbc24c1ec Added the diagonalize_s2 option 2016-02-16 17:43:26 +01:00
40cf14a5e5 Memory bug also in S2 2015-11-18 00:29:52 +01:00
90c24d9dac Memory bug also in S2 2015-11-18 00:28:58 +01:00
4679023df9 Added Davidson threshold in EZFIO 2015-11-17 00:16:15 +01:00
6a640567e8 Davidson optimization 2015-11-13 17:36:29 +01:00
Yann Garniron
238a5d6dd6 removed some unused functions 2015-11-04 16:24:12 +01:00
Yann Garniron
c3bbbd60de corrected bug in H_u_0_mrcc and get_s2_u0 2015-11-04 11:37:13 +01:00
Yann Garniron
4eed037ecf corrected parallelism bug 2015-11-02 20:56:02 +01:00
Yann Garniron
67836776e1 optimized H_u_0_mrcc and get_s2_u0 - some unused functions commented out 2015-11-01 08:57:01 +01:00
Yann Garniron
3eec2f5683 det_connections removed - some useless functions commented out 2015-10-31 18:42:46 +01:00
b6d8531583 Accelerated S^2 2015-07-14 01:06:28 +02:00
Manu
ee81a80368 Beginning the merge with qp old 2015-06-29 10:35:29 +02:00
d6ec67e840 Fixed Full CAS-SD 2015-05-06 17:01:45 +02:00
bfddb4f9d9 Added EZFIO.cfg and s2_eig test in diag 2015-05-06 15:05:08 +02:00
Thomas Applencourt
bf997c5583 Add all the mising file... 2015-04-20 18:42:52 +02:00