API reference

Release:

0.16.3-05dbf0868

Date:

Nov 23, 2025

This reference manual describes in detail how the modules, classes and functions can be used and how their API’s are defined.

These documents are complemented with the sisl tutorial.

All methods and submodules are listed here and here, respectively.

• Basic classes
  • Generic objects
  • Orbitals
  • Advanced classes
  • Utility classes

• Geometry handling (sisl.geom)
  • Creating geometries
    • Bulk (3D)
    • Surfaces (slabs)
    • 0D materials
    • 1D materials
    • 2D materials
    • Ancillary methods
  • Finding neighbors
    • sisl.geom.NeighborFinder
    • sisl.geom.FullNeighborList
    • sisl.geom.UniqueNeighborList
    • sisl.geom.PartialNeighborList
    • sisl.geom.AtomNeighborList
    • sisl.geom.CoordsNeighborList
    • sisl.geom.CoordNeighborList
    • Neighbor lists
  • Indexing atoms
    • sisl.geom.AtomCategory
    • sisl.geom.AtomFracSite
    • sisl.geom.AtomXYZ
    • sisl.geom.AtomZ
    • sisl.geom.AtomIndex
    • sisl.geom.AtomSeq
    • sisl.geom.AtomTag
    • sisl.geom.AtomOdd
    • sisl.geom.AtomEven
    • sisl.geom.AtomNeighbors
    • sisl.geom.NullCategory

• Physical objects (sisl.physics)
  • Brillouin zone
  • Physical quantites
  • Electron related functions
  • Phonon related functions
  • Distribution functions
  • Low level objects
• Mixing (sisl.mixing)
  • Container classes
  • Mixing algorithms
• Visualization
  • Plot classes
  • Utilities
• Units and constants
  • Unit conversion
  • Constants
• Utilities (sisl.utils)
  • Shapes
  • Range routines
  • Miscellaneous routines

• Functional programming
• Input/Output (sisl.io)
• Typing (sisl.typing)