7 Commits

Author	SHA1	Message	Date
Emmanuel Giner	96b9884017	added some orbitals freezing in scf utils	2021-05-10 01:31:34 +02:00
Emmanuel Giner	5b8580fe2d	some cleaning	2021-01-02 15:40:03 +01:00
Anthony Scemama	6b2020d40d	Orthogonalize MOs	2020-11-11 10:26:36 +01:00
Anthony Scemama	6c930b70f5	Added restoration of symmetry	2020-11-11 01:12:52 +01:00
Emmanuel Giner	ee267e27e9	minor modifs	2020-09-21 15:38:26 +02:00
Anthony Scemama	75891f14b7	Linear dependencies cutoff	2020-05-25 11:31:28 +02:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00