NHC PERIOD: Difference between revisions
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Revision as of 07:45, 22 April 2023
NHC_NCHAINS = [real]
Default: NHC_NCHAINS = 40
The only parameter of the Nose-Hoover chains thermostat NHC_thermostat is the time scale ([math]\displaystyle{ \tau }[/math]) of the system. This parameter, expressed in terms of the number of MD steps, is defined using the flag NHC_PERIOD. Typically, NHC_PERIOD should be set to a value between 40 and 200.