NHC PERIOD: Difference between revisions
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The only parameter of the Nose-Hoover chains thermostat {{TAG|NHC_thermostat}} is the time scale (<math>\tau</math>) of the system. This parameter, expressed in terms of the number of MD steps, is defined using the flag {{TAG|NHC_PERIOD}}. | The only parameter of the Nose-Hoover chains thermostat {{TAG|NHC_thermostat}} is the time scale (<math>\tau</math>) of the system. This parameter, expressed in terms of the number of MD steps, is defined using the flag {{TAG|NHC_PERIOD}}. The value of {{TAG|NHC_PERIOD}} should correspond to a characteristic time scale in the system. If the latter is not available, {{TAG|NHC_PERIOD}} should be set to a value between 20 and 200. | ||
Revision as of 08:02, 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 () of the system. This parameter, expressed in terms of the number of MD steps, is defined using the flag NHC_PERIOD. The value of NHC_PERIOD should correspond to a characteristic time scale in the system. If the latter is not available, NHC_PERIOD should be set to a value between 20 and 200.