NHC PERIOD: Difference between revisions

Latest revision as of 08:28, 10 September 2023

NHC_PERIOD = [real]
Default: NHC_PERIOD = 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. The setting NHC_PERIOD=0 corresponds will generate the NVE ensemble.

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.

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:NHC_PERIOD}}
-{{TAGDEF|NHC_NCHAINS|[real]|40}}
+{{TAGDEF|NHC_PERIOD|[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}}. The setting {{TAG|NHC_PERIOD}}=0 corresponds will generate the NVE ensemble.
+{{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]]