Section QUADRATIC

• Parameters controlling the quadratic wall

• Section path: CP2K_INPUT / MOTION / FREE_ENERGY / METADYN / METAVAR / WALL / QUADRATIC

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • DIRECTION
  • K

• Keyword descriptions

  DIRECTION
  	TYPE (WALL_PLUS|WALL_MINUS)
  	Specify the direction of the wall.
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: WALL_PLUS
  	List of valid keywords: WALL_MINUS Wall extends from the position towards smaller values of COLVAR WALL_PLUS Wall extends from the position towards larger values of COLVAR

  K
  	K <REAL>
  	Specify the value of the quadratic potential constant: K*(CV-POS)^2
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default unit: [hartree]