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 thermostatAD_LANGEVIN
Uses adaptive-Langevin thermostat
Specify the thermostat used for the constant temperature ensembles. [Edit on GitHub]