pyvibdmc.simulation_utilities.initial_conditioner.harmonic_analysis
===================================================================

.. py:module:: pyvibdmc.simulation_utilities.initial_conditioner.harmonic_analysis


Classes
-------

.. autoapisummary::

   pyvibdmc.simulation_utilities.initial_conditioner.harmonic_analysis.HarmonicAnalysis


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

.. py:class:: HarmonicAnalysis(eq_geom, atoms, potential, masses=None, dx=0.001, points_diag=5, points_off_diag=3, dipole=None)

   .. py:attribute:: eq_geom


   .. py:attribute:: atoms


   .. py:attribute:: potential


   .. py:attribute:: masses
      :value: None



   .. py:attribute:: dx
      :value: 0.001



   .. py:attribute:: points_diag
      :value: 5



   .. py:attribute:: points_off_diag
      :value: 3



   .. py:attribute:: num_elems


   .. py:attribute:: dipole
      :value: None



   .. py:method:: generate_hessian()


   .. py:method:: dipole_derivs()


   .. py:method:: diagonalize(hessian)


   .. py:method:: run()