pyvibdmc.simulation_utilities.imp_samp_manager
==============================================

.. py:module:: pyvibdmc.simulation_utilities.imp_samp_manager


Classes
-------

.. autoapisummary::

   pyvibdmc.simulation_utilities.imp_samp_manager.ImpSampManager
   pyvibdmc.simulation_utilities.imp_samp_manager.ImpSampManager_NoMP


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

.. py:class:: ImpSampManager(trial_function, trial_directory, python_file, pot_manager, pass_timestep=False, new_pool_num_cores=None, deriv_function=None, trial_kwargs=None, deriv_kwargs=None)

   Imports and Wraps around the user-provided trial wfn and (optionally) the first and second derivatives.
   Parallelized using multiprocessing, which is considered the default for pyvibdmc.


   .. py:attribute:: trial_func


   .. py:attribute:: trial_dir


   .. py:attribute:: python_file


   .. py:attribute:: deriv_func
      :value: None



   .. py:attribute:: trial_kwargs
      :value: None



   .. py:attribute:: deriv_kwargs
      :value: None



   .. py:attribute:: pot_manager


   .. py:attribute:: pass_timestep
      :value: False



   .. py:attribute:: nomp_pool_cores
      :value: None



   .. py:method:: call_trial(cds)

      Get trial wave function using multiprocessing



   .. py:method:: call_trial_no_mp(cds)

      For call_derivs (finite diff), get trial wave function.
      Still used in the mp.pool context, just doesn't call pool itself



   .. py:method:: call_derivs(cds)

      For when derivatives are not supplied, call finite difference function.
      This is still parallelized.



.. py:class:: ImpSampManager_NoMP(trial_function, trial_directory, python_file, chdir=False, pass_timestep=False, deriv_function=None, trial_kwargs=None, deriv_kwargs=None)

   Version of the manager that does not use any multiprocessing. If we ever evaluate the trial wfns with GPUs
   this could be useful. Could also be useful if multiprocessing is incompatible with your workflow.


   .. py:attribute:: trial_fuc


   .. py:attribute:: trial_dir


   .. py:attribute:: python_file


   .. py:attribute:: pass_timestep
      :value: False



   .. py:attribute:: deriv_func
      :value: None



   .. py:attribute:: trial_kwargs
      :value: None



   .. py:attribute:: deriv_kwargs
      :value: None



   .. py:attribute:: chdir
      :value: False



   .. py:method:: call_imp_func(func, cds, func_kwargs=None)

      Convenience function for trial, deriv, and sderiv so I don't have to have triplicates of code



   .. py:method:: call_trial(cds)

      Call trial wave function.



   .. py:method:: call_derivs(cds)

      For when derivatives are not supplied, call finite difference function.
      Returns derivatives divided by psi already