THERMOSTAT

Specify thermostat type and parameters controlling the thermostat. [Edit on GitHub]

Subsections

Keywords

Keyword descriptions

TYPE: enum = SAME_AS_PARTICLE

Usage: thermostat NOSE

Valid values:

  • SAME_AS_PARTICLE Use the same kind of thermostat used for particles.

  • NOSE Uses the Nose-Hoover thermostat.

  • CSVR Uses the canonical sampling through velocity rescaling.

Specify the thermostat used for the constant temperature ensembles. [Edit on GitHub]