THERMOSTAT

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

Keywords

Keyword descriptions

REGION: enum = GLOBAL

Usage: REGION (GLOBAL||MOLECULE||MASSIVE||DEFINED||NONE)

Valid values:

  • GLOBAL

  • MOLECULE

  • MASSIVE

  • DEFINED

  • NONE

Determines the region each thermostat is attached to. [Edit on GitHub]

TYPE: enum = NOSE

Usage: thermostat NOSE

Valid values:

  • NOSE Uses the Nose-Hoover thermostat.

  • CSVR Uses the canonical sampling through velocity rescaling.

  • GLE Uses GLE thermostat

  • AD_LANGEVIN Uses adaptive-Langevin thermostat

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