API reference

Release:

0.1-524bbd4

Date:

May 30, 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
    • Surfaces (slabs)
    • 0D materials
    • 1D materials
    • 2D materials
    • Helpers
  • 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

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

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