CENTER_COORDINATES

Allows centering the coordinates of the system in the box. The centering point can be defined by the user. [Edit on GitHub]

Keywords

Keyword descriptions

SECTION_PARAMETERS

Type: logical
Default: F
Lone keyword: T
Usage: &CENTER_COORDINATES T

Description: Controls the activation of the centering method

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CENTER_POINT

Type: real[3]

Description: Specify the point used for centering the coordinates. Default is to center the system in cell/2.

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