sites

Full name: ase2sprkkr.sprkkr.sites

Module class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.sites.Site, ase2sprkkr.sprkkr.sites.SitePropertyProxy, ase2sprkkr.sprkkr.sites.SiteType

Description

The site class define the properties of an atom.

Classes

Site(site_type)

SitePropertyProxy(site, getter)

Generic proxy for a SiteType-delegated property (mesh, potential, charge, moments, reference_system) that intercepts in-place attribute mutations and calls site.break_symmetry() first, ensuring the change only affects the individual site rather than all symmetry-equivalent sites.

SiteType(atoms, occupation[, ...])

Definition of an atomic site.