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Nose-HooverTable of contentsNo headersThe Nosé-Hoover thermostat is an extended-system method for controlling the temperature of simulated system. It allows temperatures to fluctuate about an average value, and uses a damping factor to control the oscillation of this temperature. This particular thermostat can oscillate wildly for a system that is not in equilibrium, and thus it is generally recommended to use a weak coupling method for initial system preparation, followed by data collection under the Nosé-Hoover thermostat. This thermostat produces a correct kinetic ensemble. |