12 Commits

Author	SHA1	Message	Date
Emmanuel Giner	7793832613	tunning the neworbs	2019-10-23 02:50:11 +02:00
Emmanuel Giner	99a3071489	the casscf adapts	2019-10-23 02:42:17 +02:00
eginer	b7992a11a9	working ...	2019-10-23 00:11:55 +02:00
eginer	0b6bc9abc1	not much of improvements ...	2019-10-22 20:22:54 +02:00
eginer	ecc9faa0b9	super_ci density matrix seems to work	2019-10-22 19:39:49 +02:00
Emmanuel Giner	a599079240	Merge branch 'casscf' into dev-lct	2019-07-04 14:28:34 +02:00
Emmanuel Giner LCT	55286d7889	improvement in casscf with CISD, CISDTQ and so on	2019-07-04 00:40:02 +02:00
Anthony Scemama	1db247b27e	n_core -> n_core_inactive	2019-07-02 22:52:47 +02:00
Anthony Scemama	92e44f53ba	Fixed small bugs	2019-06-27 23:06:35 +02:00
Anthony Scemama	a128c20afa	CASSCF works	2019-06-26 00:58:17 +02:00
Anthony Scemama	5902f3231e	Cleaned neworbs	2019-06-26 00:23:23 +02:00
Anthony Scemama	328ab2dadf	All programs merged. Iterations not working	2019-06-24 17:03:27 +02:00