13 Commits

Author	SHA1	Message	Date
Anthony Scemama	5c957cf1f2	Merged eginer-master	2015-03-19 21:14:52 +01:00
Anthony Scemama	85709d2fd4	Eigenstate of S^2 OK	2014-10-15 10:08:00 +02:00
Manu	590cc9574b	Working on S^2	2014-10-07 16:23:19 +02:00
Manu	8718f5fd35	minor changes	2014-10-06 15:49:16 +02:00
Anthony Scemama	61771af83a	Removed H_apply_threshold	2014-07-29 12:11:26 +02:00
Manu	964a245737	add CIS full for starting with CIS wave function	2014-07-09 00:41:08 +02:00
Anthony Scemama	ff86d51c5f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
Anthony Scemama	5818f4f255	Bug corrected in saved wave function	2014-06-09 00:34:36 +02:00
Anthony Scemama	33e8f41268	Save wavefunction	2014-06-07 22:07:50 +02:00
Anthony Scemama	a451a89e5a	Accelerated selection using dichotomy	2014-06-02 15:18:45 +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	3e7c65d858	Updated documentation	2014-05-14 00:01:31 +02:00