# XYZ_OUTERDIAG

Section to define the cross term (XA-XA(0))(XB-XB(0))+(XA-XA(0))(YB-YB(0)) or part of its components as a collective variable. The final term is given by the product of the components of A with the components of B. [Edit on GitHub]

Subsections

- POINT

## Keywords

- ATOMS

- COMPONENT_A

- COMPONENT_B

- PBC

## Keyword descriptions

ATOMS: integer[2]

  Aliases: POINTS

  Usage: ATOMS {integer} {integer}

  Specifies the index of the atoms/points A and B. [Edit on GitHub]

COMPONENT_A: enum = XYZ

  Usage: COMPONENT_A (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 for atom A. [Edit on GitHub]

COMPONENT_B: enum = XYZ

  Usage: COMPONENT_B (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 for atom B. [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]