20 Commits

Author	SHA1	Message	Date
Thomas Applencourt	f0c30cc7f2	Update qp_convert_qmcpack_to_ezfio.py	2016-11-04 16:00:47 -05:00
Anthony Scemama	1bb1575da2	Merge pull request #167 from scemama/master ... OpenMP Bug corrected	2016-06-06 23:30:11 +02:00
Thomas Applencourt	fbcddd5b62	Update qp_convert_qmcpack_to_ezfio.py ... Support python 2.6 for qmcpack	2016-03-10 08:40:20 +01:00
Thomas Applencourt	7613488976	Merge pull request #38 from scemama/master ... Good	2016-03-07 20:33:50 +01:00
Anthony Scemama	6b3ba6a99e	Fixed QMCPACK bugs (Issue #154)	2016-03-07 20:13:43 +01:00
TApplencourt	92094534e2	Fix qmc pack converter	2016-03-07 10:51:11 +01:00
TApplencourt	f20e735a18	Merging	2016-03-04 18:33:04 +01:00
TApplencourt	54a001743b	qmcpack Transform +/- -> 10	2016-03-01 15:42:16 +01:00
TApplencourt	6171d5c204	Transform +/- -> 10	2016-03-01 15:41:41 +01:00
TApplencourt	590b0d6edb	Fix qmcpack convert	2016-02-29 11:26:33 +01:00
Thomas Applencourt	3f38c8a81c	It seem the Second 64 is always 0 in psi_det	2016-02-26 17:07:36 +01:00
Thomas Applencourt	fa2499bc4e	Z are now Z effectif in block.	2016-02-26 14:17:05 +01:00
TApplencourt	7c91cfbe52	qp -> qmcpack support now more than 64 MO for the det representation	2016-02-08 14:39:23 +01:00
TApplencourt	8c5338a081	Working MO git add plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py!	2016-02-08 11:10:24 +01:00
TApplencourt	5d2434e19c	qp_convert_qmcpack_from_ezfio -> qp_convert_qmcpack_to_ezfio	2016-02-08 09:03:00 +01:00
TApplencourt	33d70af2e5	Correct the qmcpack script	2016-02-04 18:50:40 +01:00
TApplencourt	7453b47f14	qmcpack No phase reorder and only one basis by atom	2016-02-02 16:20:12 +01:00
TApplencourt	99a9ba01e1	Same phase for the MOs than gamess	2016-01-27 10:48:10 +01:00
Anthony Scemama	ef81bcb0b4	Corrected	2016-01-19 17:35:32 +01:00
Anthony Scemama	ae9599c601	Added qmcpack module	2016-01-19 17:06:57 +01:00