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Commit Graph

13 Commits

Author SHA1 Message Date
Kevin Gasperich
14c6eaeb74 fix kpt range and remove printing in cisd 2020-07-06 16:10:44 -05:00
Kevin Gasperich
2e2c403b16 starting cisd complex 2020-07-02 15:02:22 -05:00
Kevin Gasperich
d2dc64c422 complex cis and cisd 2020-07-01 13:20:35 -05:00
Emmanuel Giner LCT
a659174451 cleaned some dirty non ascii character 2020-03-31 18:40:20 +02:00
79f47d024b First python3 3 working installation 2020-03-17 18:02:29 +01:00
a812993d8c Fixed tests 2020-02-05 11:48:44 +01:00
Emmanuel Giner LCT
9ba571a910 removed generators bitmaks, and casscf with not continuous orbital windows is working 2019-10-24 19:02:42 +02:00
Emmanuel Giner LCT
40239f100c Merge alors 2019-10-24 13:56:53 +02:00
Emmanuel Giner LCT
55286d7889 improvement in casscf with CISD, CISDTQ and so on 2019-07-04 00:40:02 +02:00
eginer
0b3c2804a2 added check_sym 2019-04-26 17:31:15 +02:00
7521d3da46 Folder -> directory 2019-01-29 23:10:00 +01:00
dcbce52da1 Fixed Davidson 2019-01-27 21:58:36 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00