occupations

Full name: ase2sprkkr.sprkkr.occupations

Module class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.occupations.Occupation, ase2sprkkr.sprkkr.occupations.SiteOccupation

Description

More atomic types can be on one site.

Classes

Occupation(dct[, site_type, mesh, update_atoms])

Occupation of the atomic site, given by AtomicType : value

SiteOccupation(site)

Proxy for the Occupation of a Site that raises a RuntimeError before any mutating operation when the site still has symmetry (i.e. shares its SiteType with other sites).