md.simulation_hooks.LangevinThermostat

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

Basic stochastic Langevin thermostat, see e.g. [1] for more details.

Parameters:

temperature_bath (float) – Temperature of the external heat bath in Kelvin.
time_constant (float) – Thermostat time constant in fs

References