Open Anharmonic - Usage & Examples

This will tell about how to actually use the package, with a focus on interactive usage.

Contents

• const
  • Atomic Numbers & Symbols
  • String/Numerical Constants
  • Enumerations
• error
• grad
  • OrcaEngrad
• hess
  • OrcaHess
• output
  • OrcaOutput
• utils
  • utils (base)
  • utils.decorate
  • utils.execute
  • utils.inertia
  • utils.symm
  • utils.vector
• vpt2
• xyz