sarkas.processes#

Module handling stages of an MD run: PreProcessing, Simulation, PostProcessing.

Classes

PostProcess([input_file])

Class handling the post-processing stage of a simulation.

PreProcess([input_file])

Wrapper class handling the estimation of time and best parameters of a simulation.

Process([input_file])

Stage of a Molecular Dynamics simulation.

Simulation([input_file])

Sarkas simulation wrapper.