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Commit Graph

10 Commits

Author SHA1 Message Date
72307bcec8 [@tailcall] statements 2019-09-10 18:39:14 +02:00
e7780804bf CAS+EN OK 2019-03-18 23:38:01 +01:00
2c8a303e40 Added MP2 2019-03-18 12:41:32 +01:00
b72a1e251e Added Hartree-Fock guess with projection 2019-03-04 19:01:54 +01:00
6e68eef645 A lot of cleaning in HF 2019-03-01 21:56:46 +01:00
9a46fe36a4 Sparse vectors 2019-02-27 21:28:56 +01:00
b83b23913e ROHF OK 2019-02-26 12:05:14 +01:00
47691d0a0a Determinant space OK 2019-02-20 19:43:16 +01:00
8454863e91 Cleaned simulation 2019-02-20 18:15:15 +01:00
3482e02695 Working on DIIS 2018-05-31 16:46:45 +02:00