empty_spheres

Full name: ase2sprkkr.bindings.empty_spheres

Module class hierarchy

Inheritance diagram of ase2sprkkr.bindings.empty_spheres.EmptySpheresResult

Description

Functions

add_empty_spheres(atoms, *[, copy])

empty_spheres(atoms[, method])

Returns centres of empty spheres to add

empty_spheres_atoms(atoms[, round_zero])

Update the structure of the (SPRKKR) ASE atoms, adding the empty spheres and updating the shpheres radii of the atomic sites, according to an empty_spheres() result.

Classes

EmptySpheresResult(positions, radii)