Thermostats

Temperature control for a Lennard-Jones fluid: the Nose-Hoover extended-system thermostat, Berendsen weak coupling, and Bussi-Donadio-Parrinello stochastic velocity rescaling.

The Nose-Hoover thermostat: a friction variable that steers the temperature

The Nose-Hoover thermostat: a friction variable that steers the temperature

Berendsen’s weak coupling: exponential relaxation to the bath temperature

Berendsen's weak coupling: exponential relaxation to the bath temperature

Bussi-Donadio-Parrinello: stochastic velocity rescaling samples the canonical ensemble

Bussi-Donadio-Parrinello: stochastic velocity rescaling samples the canonical ensemble