CSVR PERIOD: Difference between revisions

Revision as of 08:49, 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 ( $\tau$ ) 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 and, typically, it should take the values corresponding to 2-2000 fs. The special setting CSVR_PERIOD=0 generates the NVE ensemble.

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 {{DISPLAYTITLE:CSVR_PERIOD}}
-{{TAGDEF|CSVR_NCHAINS|[real]|40}}
+{{TAGDEF|CSVR_PERIOD|[real]|0}}
 Description: Time scale of the [[CSVR thermostat|CSVR thermostat]] in terms of the number of MD steps.
@@ Line 6: / Line 6: @@
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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}} and, typically, it should take the values corresponding to 2-2000 fs. The special setting {{TAG|CSVR_PERIOD}}=0 generates the NVE ensemble.
 == Related tags and articles ==
-{{TAG|POTIM}}, {{TAG|CSVR_NCHAINS}}, [[CSVR thermostat]]
+{{TAG|POTIM}},  [[CSVR thermostat]]
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 [[Category:Molecular dynamics]][[Category:Thermostats]]