Section THERMOSTAT

• Specify thermostat type and parameters controlling the thermostat.

• Section path: CP2K_INPUT / MOTION / MD / SHELL / THERMOSTAT

• This section cannot be repeated.

• Subsections

  • AD_LANGEVIN
  • CSVR
  • DEFINE_REGION
  • GLE
  • NOSE
  • PRINT

• Keywords

  • REGION
  • TYPE

• Keyword descriptions

  REGION
  	REGION {Keyword}
  	Determines the region each thermostat is attached to.
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: GLOBAL
  	List of valid keywords: DEFINED Without description, yet. GLOBAL Without description, yet. MASSIVE Without description, yet. MOLECULE Without description, yet. NONE Without description, yet.

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