.. _psi4:

******
PSI4
******

PSI4 website: `PSI4 <https://psicode.org/>`_

LibEFP job examples on PSI4 github `LibEFP in PSI4 <https://github.com/psi4/psi4/tree/master/samples/libefp>`_

Functionality:

- EFP only calculations
- basic QM/EFP calculations (single point energy, polarizable embedding)

Input example of QM/EFP calculation in PSI4: :download:`psi4_test.in <../examples/psi4_test.in>`.

.. literalinclude:: ../examples/psi4_test.in
  :linenos: