13 Commits

Author	SHA1	Message	Date
Anthony Scemama	102bbb0b4f	Lots of minor fixes	2015-04-09 21:46:28 +02:00
Manu	077816dfff	Minor changes	2015-01-07 17:59:31 +01:00
Manu	8718f5fd35	minor changes	2014-10-06 15:49:16 +02:00
Anthony Scemama	0a8ebcfbd3	Test fock orb	2014-10-04 09:28:35 +02:00
Anthony Scemama	34d81fc372	MO to AO and AO to MO subroutines	2014-10-03 15:24:04 +02:00
Anthony Scemama	ff86d51c5f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
Manu	04bf05d8ad	CISD_SC2_selected works better, new pertrubation sc2, better selection	2014-06-01 22:03:26 +02:00
Anthony Scemama	583e8859d0	CISD is cleaned. Perturbation/selection is broken	2014-05-25 01:18:41 +02:00
Anthony Scemama	62811d792b	Bug in Lowdin orthonormalization openMP	2014-05-21 18:35:14 +02:00
Manu	3b18250977	CIS(DT) works	2014-05-19 18:35:56 +02:00
Anthony Scemama	e1d2a79b3b	Davidson multistates works in a very standard version	2014-05-14 22:36:59 +02:00
Anthony Scemama	c70e4591a9	Tests for integration	2014-04-07 20:01:30 +02:00
Anthony Scemama	6c29d22aa2	Added Utils, Electrons, Ezfio, Nuclei, include, AOs.	2014-04-01 18:38:51 +02:00