5 Commits

Author	SHA1	Message	Date
Anthony Scemama	e85a5927a1	Natural orbitals using SVD	2015-12-08 13:24:43 +01:00
Anthony Scemama	6d05c72143	Added CAS-SCF module	2015-11-30 19:36:18 +01:00
Anthony Scemama	61bcd8c103	Eigenvalues are now printed with the correct sign	2015-11-26 15:00:02 +01:00
Michel Caffarel	6cad30269f	Guess based on the overlap matrix of AOs to remove linear dependencies	2015-11-25 18:04:05 +01:00
Thomas Applencourt	90bec251cb	Rename module AOs MOs into {}_Basis	2015-06-24 10:32:12 +02:00