THERMOSTAT_FAST

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

Subsections

Keywords

Keyword descriptions

REGION

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Type: enum
Default: GLOBAL
Usage: REGION (GLOBAL||MOLECULE||MASSIVE||DEFINED||NONE)

Description: Determines the defined region for fast thermostat [Edit on GitHub]

Valid values:

  • GLOBAL

  • MOLECULE

  • MASSIVE

  • DEFINED

  • NONE

TYPE

🔗

Type: enum
Default: NOSE
Usage: TYPE NOSE

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

Valid values:

  • NOSE Uses only the Nose-Hoover thermostat.