pyvibdmc.simulation_utilities.mpi_imp_samp_manager ================================================== .. py:module:: pyvibdmc.simulation_utilities.mpi_imp_samp_manager Attributes ---------- .. autoapisummary:: pyvibdmc.simulation_utilities.mpi_imp_samp_manager.inited Classes ------- .. autoapisummary:: pyvibdmc.simulation_utilities.mpi_imp_samp_manager.MPI_ImpSampManager Module Contents --------------- .. py:data:: inited :value: False .. py:class:: MPI_ImpSampManager(trial_function, trial_directory, python_file, pot_manager, pass_timestep=False, 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 MPI, uses MPI_Potential's infrastructure a little bit. .. 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:: pot_manager .. py:method:: prep_imp(chdir=False) .. py:method:: initwrapper(cds, fun, kwargz=None) .. py:method:: call_trial(cds) Get trial wave function using MPI .. py:method:: call_trial_no_mp(cds) For call_derivs, 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 parallelized using MPI.