CSVR_PERIOD

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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 and, typically, it should take the values corresponding to 2-2000 fs. The special setting CSVR_PERIOD=0 generates the NVE ensemble.

Related tags and articles

POTIM, CSVR thermostat