7 Commits

Author	SHA1	Message	Date
Manu	ce7ee6cc6f	Fixed bug in FCI	2014-07-16 15:35:51 +02:00
Anthony Scemama	ff86d51c5f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
Anthony Scemama	33e8f41268	Save wavefunction	2014-06-07 22:07:50 +02:00
Anthony Scemama	c4cfc0b3d6	Corrected bitmask bug for Multi-reference	2014-06-03 19:14:12 +02:00
Anthony Scemama	a451a89e5a	Accelerated selection using dichotomy	2014-06-02 15:18:45 +02:00
Manu	868ef807bd	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00
Anthony Scemama	9897ba6c19	CISD selection + MP2 clean	2014-05-27 17:30:44 +02:00