forte2.ci.ci_utils
==================

.. py:module:: forte2.ci.ci_utils




Module Contents
---------------

.. py:function:: pretty_print_gas_info(ci_strings: forte2.CIStrings)

.. py:function:: pretty_print_ci_summary(sa_info: forte2.state.StateAverageInfo, eigvals_per_solver: list[list[float]])

   
   Pretty print the CI energy summary for the given CI states and eigenvalues.


   :Parameters:

       **sa_info** : StateAverageInfo
           An instance of `StateAverageInfo` that holds information about the states and their properties.

       **eigvals_per_solver** : list[list[float]]
           A list of lists containing the eigenvalues (energies) for each CI solver.














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.. py:function:: pretty_print_ci_nat_occ_numbers(sa_info: forte2.state.StateAverageInfo, mo_space: forte2.state.MOSpace, nat_occs: numpy.ndarray)

   
   Pretty print the natural occupation numbers for the CI states.
   Roots are rows, orbitals are columns.


   :Parameters:

       **sa_info** : StateAverageInfo
           An instance of `StateAverageInfo` that holds information about the states and their properties.

       **mo_space** : MOSpace
           An instance of `MOSpace` that holds information about the partitioning of the molecular orbitals.

       **nat_occs** : np.ndarray
           A 2D numpy array containing the natural occupation numbers for each root and orbital.
           This should be calculated from CISolver.compute_natural_occupation_numbers.














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.. py:function:: pretty_print_ci_dets(sa_info: forte2.state.StateAverageInfo, mo_space: forte2.state.MOSpace, top_dets: list[list[list[tuple]]])

   
   Pretty print the top determinants for each root of the CI states.


   :Parameters:

       **sa_info** : StateAverageInfo
           An instance of `StateAverageInfo` that holds information about the states and their properties.

       **mo_space** : MOSpace
           An instance of `MOSpace` that holds information about the partitioning of the molecular orbitals.

       **top_dets** : list[list[list[tuple]]]
           A list of lists containing the top determinants and their coefficients for each root.
           This should be obtained from CISolver.get_top_determinants.














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.. py:function:: pretty_print_ci_transition_props(sa_info: forte2.state.StateAverageInfo, tdm_per_solver, fosc_per_solver, eigvals_per_solver, thres=0.0001)

   
   Pretty print the dipole moments of CI states, as well as the bright transitions between them,
   including the oscillator strengths and vertical transition energies (VTE).


   :Parameters:

       **sa_info** : StateAverageInfo
           An instance of `StateAverageInfo` that holds information about the states and their properties.

       **tdm_per_solver** : OrderedDict
           A dictionary with keys as tuples (i, j) representing the initial and final states,
           and values as the transition dipole moments for each component (x, y, z).

       **eigvals_per_solver** : list[list[float]]
           A list of lists containing the eigenvalues (energies) for each CI solver.














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