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quantum_package/plugins/qmcpack
History
TApplencourt 7c91cfbe52 qp -> qmcpack support now more than 64 MO for the det representation
2016-02-08 14:39:23 +01:00
..
NEEDED_CHILDREN_MODULES Added qmcpack module 2016-01-19 17:06:57 +01:00
qp_convert_qmcpack_to_ezfio.py qp -> qmcpack support now more than 64 MO for the det representation 2016-02-08 14:39:23 +01:00
README.rst Added qmcpack module 2016-01-19 17:06:57 +01:00
save_for_qmcpack.irp.f qp_convert_qmcpack_from_ezfio -> qp_convert_qmcpack_to_ezfio 2016-02-08 09:03:00 +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.