17 Commits

Author	SHA1	Message	Date
Yann Garniron	33bd506328	working mrcc	2016-05-20 09:44:22 +02:00
garniron	690dfb5bb6	Merge pull request #12 from scemama/master ... merge with scemama	2016-04-05 11:23:12 +02:00
Yann Garniron	a843dae541	fixed openmp + support for N_int and N_states > 1	2016-04-04 15:51:32 +02:00
Anthony Scemama	27b7c34106	MRCC+PT2	2016-04-01 23:33:58 +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
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Yann Garniron	8f7487dee5	updated H_u_0 to match the method used in H_u_0_mrcc	2015-11-09 10:16:13 +01:00
Yann Garniron	238a5d6dd6	removed some unused functions	2015-11-04 16:24:12 +01:00
Yann Garniron	c3bbbd60de	corrected bug in H_u_0_mrcc and get_s2_u0	2015-11-04 11:37:13 +01:00
Yann Garniron	4eed037ecf	corrected parallelism bug	2015-11-02 20:56:02 +01:00
Yann Garniron	67836776e1	optimized H_u_0_mrcc and get_s2_u0 - some unused functions commented out	2015-11-01 08:57:01 +01:00
Yann Garniron	3eec2f5683	det_connections removed - some useless functions commented out	2015-10-31 18:42:46 +01:00
Yann Garniron	1064e7470b	no more connected_to_ref in mrcc_dress + cleaning	2015-10-29 11:40:11 +01:00
Yann Garniron	9186be8c56	tri alpha/beta simple pour filter_connected_davidson	2015-10-22 11:10:20 +02:00
Yann Garniron	b6000270ca	tri alpha/beta simple pour filter_connected_davidson	2015-10-21 15:50:15 +02:00
Anthony Scemama	05124ab5d4	Cleaned MRCC in MRCC_Utils	2015-07-13 18:00:38 +02:00