8 Commits

Author	SHA1	Message	Date
Anthony Scemama	ef46f87bc6	Accelerated Hartree-Fock	2014-09-19 02:01:06 +02:00
Manu	ce7ee6cc6f	Fixed bug in FCI	2014-07-16 15:35:51 +02:00
Manu	8bb8e1f7c2	CIS_DT cleaned, add Full_ci/parameters.irp.f	2014-07-12 12:20:53 +02:00
Anthony Scemama	17c157a1f3	save wavefunction general merged	2014-07-09 14:52:42 +02:00
Anthony Scemama	ff86d51c5f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
Anthony Scemama	89a7e3a644	DIIS on the way...	2014-06-19 17:58:45 +02:00
Anthony Scemama	64a14b52e9	Selection and perturbation work. Introduced new tests.	2014-05-24 02:39:18 +02:00
Anthony Scemama	b02cfe8dc3	CISD OK	2014-05-13 13:57:58 +02:00