CSVR PERIOD: Difference between revisions
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{{TAG|CSVR_PERIOD}} sets the time scale (<math>\tau</math>) of the [[CSVR thermostat|CSVR thermostat]] {{TAG|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}} | {{TAG|CSVR_PERIOD}} sets the time scale (<math>\tau</math>) of the [[CSVR thermostat|CSVR thermostat]] {{TAG|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_thermostat}} 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 == | ||
Revision as of 09:05, 10 September 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 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_thermostat 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.