sarkas.time_evolution.thermostats.berendsen

sarkas.time_evolution.thermostats.berendsen(vel, T_desired, T, species_np, therm_timestep, tau, it)

Numba’d function to update particle velocity based on Berendsen thermostat [].

Parameters

• vel (numpy.ndarray) – Particles’ velocities to rescale.

• T_desired (numpy.ndarray) – Target temperature of each species.

• T (numpy.ndarray) – Instantaneous temperature of each species.

• species_np (numpy.ndarray) – Number of each species.

• therm_timestep (int) – Timestep at which to turn on the thermostat.

• tau (float) – Scale factor.

• it (int) – Current timestep.