md.simulation_hooks.BerendsenThermostat

class md.simulation_hooks.BerendsenThermostat(*args: Any, **kwargs: Any)[source]

Berendsen velocity rescaling thermostat, as described in [1]. Simple thermostat for e.g. equilibrating the system, does not sample the canonical ensemble.

Parameters:
  • temperature_bath (float) – Temperature of the external heat bath in Kelvin.

  • time_constant (float) – Thermostat time constant in fs

References