NHC PERIOD: Difference between revisions
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{{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.}} | {{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 == | == Related tags and articles == | ||
{{TAG|POTIM}}, {{TAG|NHC_NCHAINS}}, [[ | {{TAG|POTIM}}, {{TAG|NHC_NCHAINS}}, [[Nosé-Hoover chain thermostat]] | ||
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[[Category:Molecular dynamics]][[Category:Thermostats]] | [[Category:Molecular dynamics]][[Category:Thermostats]] | ||
Latest revision as of 21:46, 17 October 2025
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 ([math]\displaystyle{ \tau }[/math]) of the Nosé-Hoover chain 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. |
Related tags and articles
POTIM, NHC_NCHAINS, Nosé-Hoover chain thermostat