Section RESTRAINT

• Restraint between two force_eval: E = E1 + k*(E1-E2-t)**2

• Section path: CP2K_INPUT / FORCE_EVAL / MIXED / RESTRAINT

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • RESTRAINT_STRENGTH
  • RESTRAINT_TARGET

• Keyword descriptions

  RESTRAINT_STRENGTH
  	RESTRAINT_STRENGTH <REAL>
  	Strength of the restraint (k) in k*(E1-E2-t)**2
  	This required keyword cannot be repeated and it expects precisely one real.

  RESTRAINT_TARGET
  	RESTRAINT_TARGET <REAL>
  	Target value of the restraint (t)
  	This required keyword cannot be repeated and it expects precisely one real.