Open Anharmonic API

The full public API is delineated below. Cross-references to NumPy are displayed with the np package abbreviation.

Note

Documented or undocumented attributes, functions, methods, etc. named with a leading underscore are NOT formally part of the API. Their behavior may change without notice.

• const

• error

• grad

• hess

• output

• utils

  • decorate
  • execute
  • inertia
  • symm
  • vector

• vpt2

  • repo

• xyz