5.8.1. domains.domain_cuboid

eminus.domains.domain_cuboid(obj, length, centers=None)[source]

Generate a mask for a cuboidal real-space domain.

Parameters:

  • obj – Atoms or SCF object.

  • length – Side length or lengths of the cuboid.

Keyword Arguments:

centers –

Center of the cuboid.

Defaults to the geometric center of mass of the system. For multiple coordinates, multiple domains will be merged.

Returns:

Boolean mask.