Section DISTANCE

• Section to define the distance as a collective variables.

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / COLVAR / DISTANCE

• This section cannot be repeated.

• Subsections

  • POINT

• Keywords

  • ATOMS
  • AXIS
  • SIGN

• Keyword descriptions

  ATOMS
  	ATOMS {Integer} {Integer}
  	Specifies the indexes of atoms/points defining the distance.
  	This keyword cannot be repeated and it expects precisely 2 integers.
  	Alias names for this keyword: POINTS

  AXIS
  	AXIS {Keyword}
  	Define the axes along which the colvar should be evaluated
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: XYZ
  	List of valid keywords: X Without description, yet. XY Without description, yet. XYZ Without description, yet. XZ Without description, yet. Y Without description, yet. YZ Without description, yet. Z Without description, yet.

  SIGN
  	SIGN {Logical}
  	Whether the distance along one Cartesian axis has to be considered with sign. This option is valid if only one dimension is selected.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.