Section THERMOSTAT

• Specify thermostat type and parameters controlling the thermostat.

• Section path: CP2K_INPUT / MOTION / MD / THERMOSTAT

• This section cannot be repeated and cannot be optional.

• Subsections

  • CSVR
  • DEFINE_REGION
  • GLE
  • NOSE
  • PRINT

• Keywords

  • REGION
  • TYPE

• Keyword descriptions

  REGION
  	REGION (GLOBAL||MOLECULE||MASSIVE||DEFINED||NONE)
  	Determines the region each thermostat is attached to.
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: GLOBAL
  	List of valid keywords: DEFINED GLOBAL MASSIVE MOLECULE NONE

  TYPE
  	THERMOSTAT NOSE
  	Specify the thermostat used for the constant temperature ensembles.
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NOSE
  	List of valid keywords: CSVR Uses the canonical sampling through velocity rescaling. GLE Uses GLE thermostat NOSE Uses the Nose-Hoover thermostat.