Interfaces
==========

.. TODO

A few interfaces to external codes are available.

\* -> |qp|
----------

`GAMESS`_ / Gaussian 
  Using the resultsFile Python library, the geometr and molecular orbitals can be read.
  This is useful to make calculations with CAS-SCF orbitals

|qp| -> \* 
----------

`Molden`_
  3D plots of Molecular Orbitals

FCIDUMP 
  Interface with the FCI-QMC program `NECI`_, or the semi-stochastic Heat-Bath CI
  program `Dice`_.

`QMCPack`_ / `CHAMP <https://www.utwente.nl/en/tnw/ccp/research/CHAMP.html>`_ / `QMC=Chem`_
  Trial wave functions can be used for Quantum Monte Carlo, with or without pseudo-potentials.
  These interfaces are provided as `external plugins`_.