LCPQ/quantum_package
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1,355 Commits 6 Branches 5 Tags 93 MiB
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8 Commits

Author SHA1 Message Date
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