CENTER

Defines the center of the sphere. [Edit on GitHub]

Keywords

• ATOM_LIST

• FIXED

• WEIGHT_TYPE

• XYZ

Keyword descriptions

ATOM_LIST

Type: integer[ ]
Usage: ATOM_LIST ..

Description: Defines a list of atoms to define the center of the sphere [Edit on GitHub]

FIXED

Type: logical
Default: T
Usage: FIXED

Description: Specify if the center of the sphere should be fixed or allowed to move [Edit on GitHub]

WEIGHT_TYPE

Type: enum
Default: UNIT
Usage: WEIGHT_TYPE (UNIT|MASS)

Description: Defines the weight used to define the center of the sphere (if ATOM_LIST is provided) [Edit on GitHub]

Valid values:

• UNIT

• MASS

XYZ

Type: real[3]
Default: [angstrom]
Usage: XYZ

Description: Coordinates of the center of the sphere [Edit on GitHub]