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2,667 Commits 6 Branches 5 Tags 93 MiB
e70bf2800e
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9 Commits

Author SHA1 Message Date
Anthony Scemama
e70bf2800e
Multi-state in qmcpack (#218) 
* Fixes #211

* Removed debug print

* Revert input coordinates

* Fix MPI

* Multi-state modification for qmcpack

* Removed useless file
 2017-12-19 18:33:34 +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