7 Commits

Author	SHA1	Message	Date
Anthony Scemama	53ba951186	Added canonical orthogonalization and accelerated Tasks	2015-12-09 18:53:38 +01:00
Anthony Scemama	61bcd8c103	Eigenvalues are now printed with the correct sign	2015-11-26 15:00:02 +01:00
Thomas Applencourt	23f03e252e	Fix #92	2015-07-03 15:07:24 +02:00
Anthony Scemama	a094629601	Added Huckel guess and fixed compatibility with new EMSL	2015-03-20 11:34:24 +01:00
Anthony Scemama	2365aeb4da	save energy in ezfio	2015-01-06 19:12:17 +01:00
Anthony Scemama	ea1a4523c1	Added ~mo_tot_num in MO_number.of_int	2014-10-30 12:25:20 +01:00
Anthony Scemama	cd418ee484	Added Bi-electronic integrals module	2014-04-17 23:50:51 +02:00