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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
quantum_package/plugins/qmcpack
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
..
NEEDED_CHILDREN_MODULES Added qmcpack module 2016-01-19 17:06:57 +01:00
README.rst Added qmcpack module 2016-01-19 17:06:57 +01:00

=======
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.