NITROGEN

Welcome to the NITROGEN documentation website. The latest development code is available at the project repository on GitHub. Stable releases can be installed directly from the Python Package Index:

pip install nitrogen

Contents

• Installation
• Tutorials
  • Differentiable functions and the DFun class
  • Automatic differentiation with the autodiff sub-package
  • Coordinate systems and the CoordSys class
  • Discrete-variable representation (DVR) bases
  • Multidimensional quadrature bases
  • Geometry optimization and vibrational analysis
• API reference
  • NITROGEN
  • nitrogen.constants
  • nitrogen.dfun
  • nitrogen.special
  • nitrogen.coordsys
  • nitrogen.basis
  • nitrogen.basis.ops
  • nitrogen.tensor
  • nitrogen.ham
  • nitrogen.pes
  • nitrogen.angmom
  • nitrogen.linalg
  • nitrogen.linalg.packed
  • nitrogen.math
  • nitrogen.scf
  • nitrogen.vpt
  • nitrogen.vpt.cfourvib
  • The autodiff sub-package

Indices and tables

• Index

• Module Index

• Search Page