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Commit Graph

18 Commits

Author SHA1 Message Date
Thomas Applencourt
2a58db3f77 Fix conflicts 2015-04-02 15:03:30 +02:00
2204bc4aba Corrected CAS-SD bug 2015-04-02 11:40:16 +02:00
c8c64a76ff Renamed psi_generators in psi_det_generators 2015-04-02 10:26:45 +02:00
Thomas Applencourt
0a8d393dbc BiInt => Bielec_integrals 2015-03-31 10:51:11 +02:00
6b2496d0ed Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
5c957cf1f2 Merged eginer-master 2015-03-19 21:14:52 +01:00
9676f62674 A lot of cleaning. Removed CIS_dressed. 2015-01-15 14:00:00 +01:00
32ce5e46d0 make compiles everything 2015-01-11 20:28:33 +01:00
17c71c3162 Selectors and generators default -> 0.999 of norm 2014-09-06 01:04:48 +02:00
Manu
ce7ee6cc6f Fixed bug in FCI 2014-07-16 15:35:51 +02:00
974636b265 Generators were broken in previous commit 2014-06-26 09:30:06 +02:00
ff86d51c5f Hartree-Fock works well 2014-06-25 14:58:58 +02:00
270dc053fa Bug in generators 2014-06-12 23:02:41 +02:00
33e8f41268 Save wavefunction 2014-06-07 22:07:50 +02:00
c4cfc0b3d6 Corrected bitmask bug for Multi-reference 2014-06-03 19:14:12 +02:00
c91e1749f2 Accelerated selection 2014-06-02 21:43:55 +02:00
a451a89e5a Accelerated selection using dichotomy 2014-06-02 15:18:45 +02:00
cbf39830bc Added Generators_full module 2014-05-29 01:46:50 +02:00