7 Commits

Author	SHA1	Message	Date
Anthony Scemama	32ce5e46d0	make compiles everything	2015-01-11 20:28:33 +01:00
Anthony Scemama	d6e172ca4a	Repaired SCF	2015-01-11 16:01:46 +01:00
Anthony Scemama	85cf60bc97	Do an H_core guess in Hartree-Fock is MOs don't exist	2015-01-04 22:29:19 +01:00
Anthony Scemama	ff86d51c5f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
Anthony Scemama	f3fc0fdb8a	Natural orbitals implemented	2014-06-20 18:35:26 +02:00
Anthony Scemama	12c47364ca	Better Hartree-Fock	2014-06-19 22:38:35 +02:00
Anthony Scemama	89a7e3a644	DIIS on the way...	2014-06-19 17:58:45 +02:00