NHC PERIOD: Difference between revisions

Revision as of 10:20, 24 April 2023

NHC_NCHAINS = [real]
Default: NHC_NCHAINS = 40

Description: Time scale of the Nosé-Hoover chain in terms of the number of MD steps.

NHC_PERIOD sets the time scale ( $\tau$ ) of the Nosé-Hoover–chain thermostat NHC_thermostat. It is expressed in terms of the number of MD steps and must be interpreted in combination with the time step set by POTIM.

Tip: The value of NHC_PERIOD should correspond to a characteristic time scale in the system. If this is unknown, NHC_PERIOD should be set to a value between 20 and 200.

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 {{TAGDEF|NHC_NCHAINS|[real]|40}}
+Description: Time scale of the [[NHC thermostat|Nosé-Hoover chain]] in terms of the number of MD steps.
-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.
+----
+{{TAG|NHC_PERIOD}} sets the time scale (<math>\tau</math>) of the [[NHC thermostat|Nosé-Hoover–chain thermostat]] {{TAG|NHC_thermostat}}. It is expressed in terms of the number of MD steps and must be interpreted in combination with the time step set by {{TAG|POTIM}}.
+{{NB|tip|The value of {{TAG|NHC_PERIOD}} should correspond to a characteristic time scale in the system. If this is unknown, {{TAG|NHC_PERIOD}} should be set to a value between 20 and 200.}}
+== Related tags and articles ==
+{{TAG|POTIM}}, {{TAG|NHC_NCHAINS}}, [[NHC thermostat]]
+----
+[[Category:Molecular dynamics]][[Category:Thermostats]]