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Commit Graph

8 Commits

Author SHA1 Message Date
Emmanuel Giner LCT
b470cb6c1e state average works 2019-10-25 17:31:09 +02:00
eginer
9c1932eb04 fixed casscf 2019-10-21 19:35:08 +02:00
Emmanuel Giner
a599079240 Merge branch 'casscf' into dev-lct 2019-07-04 14:28:34 +02:00
Emmanuel Giner LCT
55286d7889 improvement in casscf with CISD, CISDTQ and so on 2019-07-04 00:40:02 +02:00
1db247b27e n_core -> n_core_inactive 2019-07-02 22:52:47 +02:00
a128c20afa CASSCF works 2019-06-26 00:58:17 +02:00
26be853c18 Cleaning 2019-06-25 18:53:48 +02:00
328ab2dadf All programs merged. Iterations not working 2019-06-24 17:03:27 +02:00