pyvibdmc.simulation_utilities.imp_samp
======================================

.. py:module:: pyvibdmc.simulation_utilities.imp_samp


Classes
-------

.. autoapisummary::

   pyvibdmc.simulation_utilities.imp_samp.ImpSamp


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

.. py:class:: ImpSamp(imp_samp_manager)

   Internal class that:
   1. Calculates local energy
   2. Calculates drift terms
   3. Calls trial wave function
   Directly interfaces with the simulation. Also a good place to put finite difference derivatives.


   .. py:attribute:: imp_manager


   .. py:method:: trial(cds)

      Internally returns the direct product wfn



   .. py:method:: drift(cds)

      Internally returns (dpsi/psi), since it's more convenient in the workflow.
      Also returns second derivatives divided by psi



   .. py:method:: metropolis(sigma_trip, trial_x, trial_y, disp_x, disp_y, D_x, D_y, dt)
      :staticmethod:



   .. py:method:: local_kin(inv_masses_trip, sec_deriv)
      :staticmethod:



   .. py:method:: finite_diff(cds, trial_func)
      :staticmethod:


      Internal finite diff of needed derivatives for imp samp DMC, dpsi/dx and d2spi/dx2