sarkas.processes.Process

class sarkas.processes.Process(input_file=None)

Stage of a Molecular Dynamics simulation.

This is the parent class for PreProcess, Simulation, and PostProcess.

Parameters

input_file (str) – Path to the YAML input file.

Variables

• potential (sarkas.potential.base.Potential) – Class handling the interaction between particles.

• integrator (sarkas.time_evolution.integrators.Integrator) – Class handling the integrator.

• thermostat (sarkas.time_evolution.thermostats.Thermostat) – Class handling the equilibration thermostat.

• particles (sarkas.core.Particles) – Class handling particles properties.

• parameters (sarkas.core.Parameters) – Class handling simulation’s parameters.

• species (list) – List of sarkas.core.Species classes.

• input_file (str) – Path to YAML input file.

• timer (sarkas.utilities.timing.SarkasTimer) – Class handling the timing of processes.

• io (sarkas.utilities.io.InputOutput) – Class handling the IO in Sarkas.

Methods

Process.__init__([input_file])
Process.common_parser([filename])	Parse simulation parameters from YAML file.
Process.evolve_loop(phase, thermalization, ...)
Process.initialization()	Initialize all classes.
Process.setup([read_yaml, other_inputs])	Setup simulations' parameters and io subclasses.