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.. | ||
.gitignore | ||
EZFIO.cfg | ||
NEED | ||
qp_convert.py | ||
README.rst | ||
save_for_champ.irp.f | ||
write_champ_csf.irp.f |
=============== CHAMP Interface =============== Interface from Quantum Package to [CHAMP](https://www.utwente.nl/en/tnw/ccp/research/CHAMP.html). For multi-state calculations, to extract state 2 use: .. code-block:: bash QP_STATE=2 qp_run save_for_champ x.ezfio (state 1 is the ground state).