LCPQ/quantum_package
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2,767 Commits 6 Branches 5 Tags 93 MiB
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10 Commits

Author SHA1 Message Date
Anthony Scemama
e8df53857a Fixed QMCPack pseudo bug 2017-12-19 22:19:29 +01:00
Anthony Scemama
f838765834 Multi-state modification for qmcpack 2017-12-19 18:27:39 +01:00
Anthony Scemama
e77c7a5244 Increase precision in MOs for qmcpack 2017-07-19 23:35:00 +00:00
Anthony Scemama
23ab125883 Fixed QMCPACK interface 2017-07-15 18:06:20 +02:00
Thomas Applencourt
a8edfa0490 Update qp_convert_qmcpack_to_ezfio.py 2017-07-14 22:52:27 -05:00
Thomas Applencourt
68e9657a7a Update qp_convert_qmcpack_to_ezfio.py 2017-07-14 22:47:55 -05:00
Thomas Applencourt
1a2e605d08 Update qp_convert_qmcpack_to_ezfio.py 2017-07-14 22:27:35 -05:00
Thomas Applencourt
8c341dde9e Update qp_convert_qmcpack_to_ezfio.py 2017-07-14 20:09:13 -05:00
Thomas Applencourt
727b79bcab Update qp_convert_qmcpack_to_ezfio.py 2017-07-14 19:20:10 -05:00
Anthony Scemama
f3b2bea214 Merged QMC modules (#208) 
* Fixed mmap

* Truncated wf a la QMC=Chem

* Merged QmcChem and qmcpack modules
 2017-07-12 23:58:45 +02:00