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qp_plugins_scemama/devel/qmcchem/README.rst

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2019-07-23 15:12:25 +02:00
==============
QmcChem Module
==============
For multi-state calculations, to extract state 2 use:
``
QP_STATE=2 qp_run save_for_qmcchem x.ezfio
``
(state 1 is the ground state).