Geometry handling (sisl.geom)

The Geometry class is the workhorse of basically all computational details of large parts of sisl. It defines atomic species, coordinates, associated orbitals and much more. Therefore an extended suite of tools and methods are available to handle this complex object.

• Creating geometries
  • Bulk (3D)
  • Surfaces (slabs)
  • 0D materials
  • 1D materials
  • 2D materials
  • Ancillary methods

• Finding neighbors
• Indexing atoms