5.8.3. domains.domain_sphere

eminus.domains.domain_sphere(obj, radius, centers=None)[source]

Generate a mask for a spherical real-space domain.

Parameters:

  • obj – Atoms or SCF object.

  • radius – Radius of the sphere.

Keyword Arguments:

centers –

Center of the sphere.

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

Returns:

Boolean mask.