Site
- class ase2sprkkr.sprkkr.sites.Site(site_type)[source]
Class hierarchy
Constructor
- property site_type
- property has_symmetry
- property mesh
- property potential
- property charge
- property moments
- property occupation
- property reference_system
- property primary_symbol
Symbol of the most important (most probable) chemical element present on the site.
- property primary_atomic_number
Atomic symbol of the most important (most probable) chemical element present on the site.
- property is_vacuum
- property atoms
- copy(site_type=False)[source]
Copy the site, optionally setting the new site_type (possibly to None) or copy the exiting one.
- Parameters:
site_type (bool | SiteType | None)
- property atomic_type
- property atomic_types