Commit Graph

11 Commits

Author SHA1 Message Date
Anthony Scemama 0e2325bdf4 Improved EN 2020-03-27 18:20:56 +01:00
Anthony Scemama f2b71bff7b Improved FCI and CAS 2020-02-27 01:02:00 +01:00
Anthony Scemama acb2314be4 Adapt for Notebooks 2019-12-02 14:58:48 +01:00
Anthony Scemama 37ccd24d3e Accelerated 4idx 2019-04-05 16:54:38 +02:00
Anthony Scemama 075455fc9c Fixed bug in F12 integrals 2019-03-25 10:54:23 +01:00
Anthony Scemama e21aea2b16 Merged 2019-03-25 09:17:13 +01:00
Anthony Scemama 48939ed7cf Fixed open shells CAS 2019-03-23 15:54:46 +01:00
Anthony Scemama dc50c99b43 Introduced reference PT2 energy 2019-03-22 18:16:41 +01:00
Anthony Scemama 963441b434 CAS+EN OK for 1 det 2019-03-19 00:10:34 +01:00
Anthony Scemama e7780804bf CAS+EN OK 2019-03-18 23:38:01 +01:00
Anthony Scemama f07dc33c73 PT2 is not working yet 2019-03-18 19:17:31 +01:00