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quantum_package/plugins/qmcpack
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Anthony Scemama 4dd50301f1 Merge Anouar (#53) 
* Fix THE QMCPACK Determinant print

* Add correlation_energy_ratio_max as an exit criterion

* Fix Print

* Fix ENDIF

*  Fix comment
2017-04-21 22:34:25 +02:00
..
NEEDED_CHILDREN_MODULES
Added qmcpack module
2016-01-19 17:06:57 +01:00
qp_convert_qmcpack_to_ezfio.py
Merge Anouar (#53)
2017-04-21 22:34:25 +02:00
README.rst
Added qmcpack module
2016-01-19 17:06:57 +01:00
save_for_qmcpack.irp.f
Fixed QMCPACK bugs (Issue #154)
2016-03-07 20:13:43 +01:00

README.rst 

=======
qmcpack
=======

Normalize the AO basis using GAMESS convention and save it inside the EZFIO.
Then the python script is called.

Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.
Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.