CENTER

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

Keywords

• ATOM_LIST

• FIXED

• WEIGHT_TYPE

• XYZ

Keyword descriptions

ATOM_LIST: integer

Usage: ATOM_LIST ..

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

FIXED: logical = T

Usage: FIXED

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

WEIGHT_TYPE: enum = UNIT

Usage: WEIGHT (UNIT|MASS)

Valid values:

• UNIT

• MASS

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

XYZ: real[3] = [angstrom]

Usage: XYZ

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