CSVR PERIOD: Difference between revisions
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{{DISPLAYTITLE:CSVR_PERIOD}} | {{DISPLAYTITLE:CSVR_PERIOD}} | ||
{{TAGDEF| | {{TAGDEF|CSVR_PERIOD|[real]|0}} | ||
Description: Time scale of the [[CSVR thermostat|CSVR thermostat]] in terms of the number of MD steps. | Description: Time scale of the [[CSVR thermostat|CSVR thermostat]] in terms of the number of MD steps. | ||
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---- | ---- | ||
{{TAG|CSVR_PERIOD}} sets the time scale (<math>\tau</math>) of the [[CSVR thermostat|CSVR thermostat]] | {{TAG|CSVR_PERIOD}} sets the time scale (<math>\tau</math>) of the [[CSVR thermostat|CSVR 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}}. Typically, {{TAG|CSVR_PERIOD}} should take the values corresponding to 2-2000 fs, whereby the smaller the value, the more aggressive the thermostating. The special setting {{TAG|CSVR_PERIOD}}=0 generates the NVE ensemble. | ||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|POTIM}}, | {{TAG|POTIM}}, [[CSVR thermostat]] | ||
---- | ---- | ||
[[Category:Molecular dynamics]][[Category:Thermostats]] | [[Category:Molecular dynamics]][[Category:Thermostats]] | ||
Latest revision as of 21:47, 27 October 2023
CSVR_PERIOD = [real]
Default: CSVR_PERIOD = 0
Description: Time scale of the CSVR thermostat in terms of the number of MD steps.
CSVR_PERIOD sets the time scale () of the CSVR 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. Typically, CSVR_PERIOD should take the values corresponding to 2-2000 fs, whereby the smaller the value, the more aggressive the thermostating. The special setting CSVR_PERIOD=0 generates the NVE ensemble.