29 Commits

Author	SHA1	Message	Date
Emmanuel Giner	65fb9bce6e	Merge branch 'master' of https://github.com/eginer/quantum_package	2017-03-17 11:50:43 +01:00
Emmanuel Giner	dd981ed4e9	Merge branch 'master' of https://github.com/eginer/quantum_package	2017-03-17 11:47:11 +01:00
Emmanuel Giner	e8e7985429	minor changes in plugins/FOBOCI/SC2_1h1p.irp.f	2017-03-17 11:46:43 +01:00
Emmanuel Giner	ffb8338487	added density.irp.f	2017-03-17 11:45:35 +01:00
Emmanuel Giner	c5cc7e4d47	New version of FOBOCI	2017-03-17 11:40:48 +01:00
Emmanuel Giner	a72b890b92	debugging FOBOCI	2017-03-16 21:21:27 +01:00
Anthony Scemama	40d5274dae	logical comparisons with .eqv.	2016-11-14 19:33:17 +01:00
Anthony Scemama	a3e2292b8e	Merge with Dr. Giner	2016-11-02 21:46:12 +01:00
Emmanuel Giner	124d918021	forgotten files	2016-11-02 16:01:01 +01:00
Emmanuel Giner	bd91472407	selected integrals is ok	2016-10-12 21:29:15 +02:00
Emmanuel Giner	82a29d5603	no vvv integrals is ok	2016-10-11 19:03:23 +02:00
Anthony Scemama	2b5c93a58a	Fixed tests	2016-10-07 19:45:25 +02:00
Anthony Scemama	18ff53e063	Improved diagonalization	2016-09-23 14:23:03 +02:00
Anthony Scemama	9c50e4de2e	Optimized ninja	2016-09-23 10:01:26 +02:00
Anthony Scemama	98059e87f5	Extracting davidson from slater rules	2016-09-20 17:29:02 +02:00
Anthony Scemama	342927be90	Rewrote s2	2016-09-17 00:13:04 +02:00
Emmanuel Giner	a0d5869054	Modifs of fobo-scf	2016-07-16 16:09:50 +02:00
Anthony Scemama	67fd40626d	Merge branch 'master' of https://github.com/scemama/quantum_package ... Conflicts: config/ifort.cfg plugins/FOBOCI/H_apply_dressed_autonom.irp.f	2016-05-13 10:25:50 +02:00
Anthony Scemama	0821e76995	Extract CAS	2016-04-11 10:39:27 +02:00
Emmanuel Giner	80cf1472ca	added the two body dm alpha beta	2016-04-04 17:28:49 +02:00
Emmanuel Giner	470a6d51c9	rm FOBOCI/H_apply_dressed_autonom_bis.irp.f	2016-03-14 16:21:05 +01:00
Emmanuel Giner	f030c4b6fe	Merged with LCPQ	2016-03-14 16:12:25 +01:00
Emmanuel Giner	4cef44732e	Program FOBO-SCF works	2016-03-14 16:01:55 +01:00
Emmanuel Giner	ac8e530372	FOBO-SCF executable works	2016-03-11 23:27:39 +01:00
Emmanuel Giner	518520d619	Changes in FOBOCI	2016-02-19 17:32:35 +01:00
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Emmanuel Giner	87ae288904	Modifications of do_double_exc in generate_h_apply	2016-02-18 17:06:22 +01:00
Emmanuel Giner	8f5ba570ea	Comments of Anthony taken into account	2016-02-18 11:33:26 +01:00
Emmanuel Giner	bc6c26fb73	Add the FOBOCI routines	2016-02-17 17:15:54 +01:00