# XYZ_DIAG

Section to define the distance of an atom from its starting position ((X-X(0))^2+(Y-Y(0))^2+(Z-Z(0))^2) or part of its components as a collective variable. If absolute_position is specified, instead the CV is represented by the instantaneous position of the atom (only available for X, Y or Z components). [Edit on GitHub]

Subsections

- POINT

## Keywords

- ABSOLUTE_POSITION

- ATOM

- COMPONENT

- PBC

## Keyword descriptions

ABSOLUTE_POSITION: logical = F

  Lone keyword: `T`

  Usage: ABSOLUTE_POSITION

  If enabled, the absolute position of the atoms will be used. [Edit on GitHub]

ATOM: integer

  Aliases: POINT

  Usage: ATOM {integer}

  Specifies the index of the atom/point. [Edit on GitHub]

COMPONENT: enum = XYZ

  Usage: COMPONENT (XYZ | X | Y | Z | XY| XZ | YZ)

  Valid values:

  - `XYZ`

  - `X`

  - `Y`

  - `Z`

  - `XY`

  - `XZ`

  - `YZ`

  Define the component of the position vector which will be used as a colvar. [Edit on GitHub]

PBC: logical = T

  Lone keyword: `T`

  Usage: PBC

  Whether periodic boundary conditions should be applied on the atomic position before computing the colvar or not. [Edit on GitHub]