The CP2K project : input section DISTANCE

Section DISTANCE

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%COLVAR%COMBINE_COLVAR%COLVAR%DISTANCE.

Section to define the distance as a collective variables. This section can not be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

ATOMS
ATOMS {integer} {integer}
Specifies the indexes of atoms/points defining the distance.
This required keyword expects precisely 2 integers
variants: POINTS
AXIS
AXIS (XYZ | X | Y | Z | XY| XZ | YZ)
Define the axes along which the colvar should be evaluated
This optional keyword expects a keyword. Default value: XYZ
valid keywords: XYZ, X, Y, Z, XY, XZ, YZ


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