CSVR

References: Bussi2007

Parameters of the canonical sampling through velocity rescaling thermostat. [Edit on GitHub]

Subsections

• RNG_INIT
• THERMOSTAT_ENERGY

Keywords

• TIMECON

Keyword descriptions

TIMECON

Type: real
Default: 1.00000000E+003 [fs]
Usage: timecon

Description: Time constant of the CSVR thermostat. A small time constant will result in strong thermostatting (useful for initial equilibrations) and a large time constant would be adequate to get weak thermostatting in production runs.

[Edit on GitHub]