7 Commits

Author	SHA1	Message	Date
Anthony Scemama	a094629601	Added Huckel guess and fixed compatibility with new EMSL	2015-03-20 11:34:24 +01:00
Anthony Scemama	942b9339c6	Added ezfio_defaults in data	2014-07-29 14:23:33 +02:00
Anthony Scemama	33e8f41268	Save wavefunction	2014-06-07 22:07:50 +02:00
Anthony Scemama	b02cfe8dc3	CISD OK	2014-05-13 13:57:58 +02:00
Anthony Scemama	6a9ebb343b	Corrected bug in ROHF	2014-04-26 00:29:30 +02:00
Anthony Scemama	c03132b4f9	Minor changes in Hartree-Fock	2014-04-24 12:31:15 +02:00
Anthony Scemama	6ad651c46c	Added Hartree-Fock in MO basis	2014-04-23 22:10:36 +02:00