Open Anharmonic
v.userguide
  • User’s Guide
    • Usage & Examples
      • const – Constants and Enumerations
      • error – Custom Errors
      • grad – Gradient Data
      • hess – Hessian Data
      • output – Computation Outputs
      • utils – Utility Functions
        • utils (base) – Miscellaneous Utilities
        • utils.decorate – Custom Decorators
        • utils.execute – Execution of External Software
        • utils.inertia – Inertial Matrix / Rotational Constants
        • utils.symm – Symmetry Operations and Symmetry Detection
        • utils.vector – Miscellaneous Vector Functions
      • vpt2 – VPT2 Anharmonic Calculations
      • xyz – OpenBabel Geometry / Trajectory Data
    • Theory
  • API
  • Notational and Algebraic Conventions
  • Supported Software Packages
  • Dependencies
  • Units of Measure
  • References
  • Documentation To-Do
Open Anharmonic
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  • utils – Utility Functions
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utils – Utility Functions¶

Stuff

  • utils (base) – Miscellaneous Utilities
  • utils.decorate – Custom Decorators
  • utils.execute – Execution of External Software
  • utils.inertia – Inertial Matrix / Rotational Constants
  • utils.symm – Symmetry Operations and Symmetry Detection
  • utils.vector – Miscellaneous Vector Functions
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© Copyright 2016, Brian Skinn. Revision af3ac109.

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