6 Commits

Author	SHA1	Message	Date
Anthony Scemama	7679af0061	Improved Hartree-Fock convergence	2015-03-26 23:57:17 +01:00
Anthony Scemama	a094629601	Added Huckel guess and fixed compatibility with new EMSL	2015-03-20 11:34:24 +01:00
Anthony Scemama	32ce5e46d0	make compiles everything	2015-01-11 20:28:33 +01:00
Anthony Scemama	2365aeb4da	save energy in ezfio	2015-01-06 19:12:17 +01:00
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