API reference

This manual API reference documents the Python-facing libintx bindings: high-level DF Coulomb interfaces, low-level basis objects and the J-engine.

Contents:

• Conventions
  • Units
  • Arrays
  • Implementation-specific details
• Jengine
  • Overview
  • Constructor
  • Parameters
  • Properties
  • Methods
  • Notes
• Basis
  • Overview
  • Constructor
  • Properties & Methods
  • Examples
• DFSolver
  • Overview
  • Constructor
  • Parameters
  • Methods
  • Notes
• ScreenERI3
  • Overview
  • Constructor
  • Parameters
  • Properties
  • Notes
• Gaussian
  • Overview
  • Primitive:
  • Example
• Atom
  • Overview
  • Constructors
  • Notes