scemama/qp_plugins_scemama
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114d4a695c
qp_plugins_scemama/stable/champ
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Anthony Scemama 114d4a695c Fixed bug
2021-12-03 17:39:10 +01:00
..
.gitignore Added 2RDM plugin 2019-05-15 09:43:03 +02:00
EZFIO.cfg champ module 2019-01-23 17:42:42 +01:00
NEED Det-CSF conversion 2021-12-03 14:48:52 +01:00
qp_convert.py Fixed basis bug 2020-09-24 10:07:25 +02:00
README.rst champ module 2019-01-23 17:42:42 +01:00
save_for_champ.irp.f Fixed bug 2021-12-03 17:39:10 +01:00
write_champ_csf.irp.f Fixed bug 2021-12-03 17:39:10 +01:00

README.rst 

===============
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).