18 Commits

Author	SHA1	Message	Date
Anthony Scemama	98f3692f4c	Merged scemama-master	2017-04-20 19:18:16 +02:00
Anthony Scemama	a2750bb55c	Revert "merge with main branch"	2017-04-20 08:48:06 +02:00
Emmanuel Giner	03c50ebd2f	merged with toto	2017-04-13 16:27:08 +02:00
Anthony Scemama	1d6593a288	pedantic changes	2017-04-12 19:29:21 +02:00
Emmanuel Giner	a72b890b92	debugging FOBOCI	2017-03-16 21:21:27 +01:00
Emmanuel Giner	4e0c71df10	density based mrpt2	2017-02-06 21:28:01 +01:00
Anthony Scemama	d00c312361	Moved MRPT_Utils	2016-11-30 17:02:28 +01:00
Emmanuel Giner	8c6bb03a23	Fixed the perturbation with psi_ref instead of psi_det	2016-11-25 23:07:45 +01:00
Anthony Scemama	b97ca19a8c	Made MRPT_Utils a core module	2016-11-11 23:12:48 +01:00
Anthony Scemama	e17e530ce1	Now compiles with gfortran	2016-11-02 23:55:19 +01:00
Emmanuel Giner	d13853691a	conflicts minimized for merge	2016-11-02 17:39:39 +01:00
Emmanuel Giner	82a29d5603	no vvv integrals is ok	2016-10-11 19:03:23 +02:00
Emmanuel Giner	50d1f364e0	Phase problem fixed	2016-09-20 12:04:48 +02:00
Emmanuel Giner	8ad7a5c82f	merging with new way	2016-09-10 17:00:34 +02:00
Emmanuel Giner	9a152ca037	Beginning new way for computing pt2	2016-09-10 12:32:33 +02:00
Emmanuel Giner	a6dced35ac	strange things in MRPT	2016-09-08 12:28:02 +02:00
Emmanuel Giner	d5a76190ca	Good Dyall Hamiltonian	2016-09-07 14:49:52 +02:00
Emmanuel Giner	8aebbd02cc	New PT2 with dressed matrix is working on H2	2016-08-30 14:10:52 +02:00