pyvibdmc.simulation_utilities.mpi_imp_samp_manager
Attributes
Classes
Imports and Wraps around the user-provided trial wfn and (optionally) the first and second derivatives. |
Module Contents
- pyvibdmc.simulation_utilities.mpi_imp_samp_manager.inited = False
- class pyvibdmc.simulation_utilities.mpi_imp_samp_manager.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.
- trial_fuc
- trial_dir
- python_file
- pass_timestep = False
- deriv_func = None
- trial_kwargs = None
- deriv_kwargs = None
- pot_manager
- prep_imp(chdir=False)
- initwrapper(cds, fun, kwargz=None)
- call_trial(cds)
Get trial wave function using MPI
- 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
- call_derivs(cds)
For when derivatives are not supplied, call finite difference function. This is parallelized using MPI.