23 Commits

Author	SHA1	Message	Date
Anthony Scemama	f326801e56	Fixed mrcepa0_general.irp.f	2016-11-21 23:31:28 +01:00
Anthony Scemama	ae7e9361b9	Improved convergence of multi-state	2016-11-21 21:25:38 +01:00
Anthony Scemama	f2fdcb379d	Single state diagonalization in MRCC	2016-11-20 22:55:10 +01:00
Anthony Scemama	508670f693	Corrected bug in multi-state MRCC	2016-11-15 18:39:44 +01:00
Anthony Scemama	2b86f75527	Fixed travis tests	2016-11-14 19:56:54 +01:00
Anthony Scemama	b0497c6594	Updated FCI for S2 eig	2016-11-10 14:42:41 +01:00
Anthony Scemama	2a2e099bca	Cleaned MRCC	2016-11-09 15:50:51 +01:00
Yann Garniron	b780a6540a	bugs in mrcepa0_general and mrcc_utils	2016-10-14 12:40:29 +02:00
Anthony Scemama	2b5c93a58a	Fixed tests	2016-10-07 19:45:25 +02:00
Anthony Scemama	cc947afc89	Corrected PT2 for MRCC	2016-09-17 23:33:06 +02:00
Anthony Scemama	c7d339bb10	PT2 OK	2016-09-11 22:45:40 +02:00
Yann Garniron	6481083bc3	N_states > 1	2016-07-06 15:43:21 +02:00
Yann Garniron	acc8a8bb7e	dirty - corrected mrcepa/mrcc final PT2	2016-06-02 12:47:35 +02:00
Yann Garniron	33bd506328	working mrcc	2016-05-20 09:44:22 +02:00
Yann Garniron	a19543f6c7	alpha = triple-quadruple	2016-05-04 18:23:05 +02:00
Yann Garniron	65cdad8f18	dirty - noiter version	2016-04-11 17:43:02 +02:00
Yann Garniron	2774af5bbd	experimental - OLD_LAMBDA and NO_MONO_DRESSING	2016-04-08 13:25:55 +02:00
Yann Garniron	f2fef4a6dc	added pt2 to mrsc2/mrcepa0	2016-04-07 17:54:13 +02:00
Yann Garniron	4298ab6ab0	bug in lambda_mrcc	2016-04-07 11:13:14 +02:00
Yann Garniron	a843dae541	fixed openmp + support for N_int and N_states > 1	2016-04-04 15:51:32 +02:00
Yann Garniron	48cb3b3ddc	different binaries for mrcepa0/mrsc2/mrsc2sub + corrected reversed index in mrcc_utils	2016-04-01 12:00:03 +02:00
Yann Garniron	7f583946c2	experimental mrcepa0/mrsc2	2016-03-11 19:35:57 +01:00
Yann Garniron	f65aae9538	init mrcepa0	2016-03-04 16:52:46 +01:00