11 Commits

Author	SHA1	Message	Date
Anthony Scemama	93f750d38f	Fixed density matrix	2017-04-07 18:01:57 +02:00
Anthony Scemama	60164de0c0	Accelerated selection	2017-03-30 01:13:27 +02:00
Anthony Scemama	7cb17e0a48	Super fast density matrix	2017-03-13 12:27:13 +01:00
Anthony Scemama	3e37fcd12b	Wf analyzis	2016-12-19 13:27:16 +01:00
Emmanuel Giner	dbf894a99a	mrpt new with multi state version	2016-09-01 17:43:33 +02:00
Emmanuel Giner	a0d5869054	Modifs of fobo-scf	2016-07-16 16:09:50 +02:00
Emmanuel Giner	19e276fc0d	added the mulliken and hyperfine coupling constants analysis	2016-02-16 18:32:53 +01:00
Anthony Scemama	e85a5927a1	Natural orbitals using SVD	2015-12-08 13:24:43 +01:00
Anthony Scemama	61bcd8c103	Eigenvalues are now printed with the correct sign	2015-11-26 15:00:02 +01:00
Anthony Scemama	007e234997	bitstring_to_list_ab	2015-11-20 19:51:56 +01:00
Thomas Applencourt	bf997c5583	Add all the mising file...	2015-04-20 18:42:52 +02:00