quantum_package/plugins/Psiref_Utils/README.rst

===================
Psiref_utils Module
===================


Utilities related to the use of a reference wave function. This module
needs to be loaded with any psi_ref module.


Documentation
=============

.. Do not edit this section. It was auto-generated from the
.. by the `update_README.py` script.

`get_index_in_psi_ref_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L182>`_
  Returns the index of the determinant in the ``psi_ref_sorted_bit`` array


`h_matrix_ref <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L116>`_
  Undocumented


`holes_operators <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_excitations_operators.irp.f#L3>`_
  holes_operators represents an array of integers where all the holes have
  been done going from psi_ref to psi_non_ref
  particles_operators represents an array of integers where all the particles have
  been done going from psi_ref to psi_non_ref


`idx_non_ref <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L20>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  idx_non_ref_rev gives the reverse.


`idx_non_ref_rev <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L21>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  idx_non_ref_rev gives the reverse.


`is_in_psi_ref <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L168>`_
  True if the determinant ``det`` is in the wave function


`n_det_non_ref <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L22>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  idx_non_ref_rev gives the reverse.


`particles_operators <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_excitations_operators.irp.f#L4>`_
  holes_operators represents an array of integers where all the holes have
  been done going from psi_ref to psi_non_ref
  particles_operators represents an array of integers where all the particles have
  been done going from psi_ref to psi_non_ref


`psi_coef_ref_diagonalized <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L128>`_
  Undocumented


`psi_non_ref <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L18>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  idx_non_ref_rev gives the reverse.


`psi_non_ref_coef <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L19>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  idx_non_ref_rev gives the reverse.


`psi_non_ref_coef_restart <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L62>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  But this is with respect to the restart wave function.


`psi_non_ref_coef_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L104>`_
  Reference determinants sorted to accelerate the search of a random determinant in the wave
  function.


`psi_non_ref_restart <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L61>`_
  Set of determinants which are not part of the reference, defined from the application
  of the reference bitmask on the determinants.
  idx_non_ref gives the indice of the determinant in psi_det.
  But this is with respect to the restart wave function.


`psi_non_ref_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L103>`_
  Reference determinants sorted to accelerate the search of a random determinant in the wave
  function.


`psi_ref_coef_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L5>`_
  Reference determinants sorted to accelerate the search of a random determinant in the wave
  function.


`psi_ref_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L147>`_
  Undocumented


`psi_ref_energy_diagonalized <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L129>`_
  Undocumented


`psi_ref_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_Utils/psi_ref_utils.irp.f#L4>`_
  Reference determinants sorted to accelerate the search of a random determinant in the wave
  function.