NHC PERIOD: Difference between revisions
(Created page with "{{DISPLAYTITLE:NHC_PERIOD}} {{TAGDEF|NHC_NCHAINS|[real]|40}} The only parameter of the Nose-Hoover chains thermostat {{TAG|NHC_thermostat}} is the time scale (<math>\tau</ma...") |
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{{DISPLAYTITLE:NHC_PERIOD}} | {{DISPLAYTITLE:NHC_PERIOD}} | ||
{{TAGDEF| | {{TAGDEF|NHC_PERIOD|[real]|40}} | ||
Description: Time scale of the [[NHC thermostat|Nosé-Hoover chain]] in terms of the number of MD steps. | |||
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{{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]] | |||
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[[Category:Molecular dynamics]][[Category:Thermostats]] | |||
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 () 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. |
Related tags and articles
POTIM, NHC_NCHAINS, NHC thermostat