Welcome to panther’s documentation!

Contents:

• Installation
  • Dependencies
• User guide
  • panther
  • plotmode
  • writemodes
• Tutorials
  • Harmonic and Anharmonic Thermochemistry
  • Harmonic vibrations and thermochemistry
  • Normal Mode Relaxation
  • Anharmonic Thermochemistry
  • Anharmonic frequencies from 1-D Schrodinger Equation
• API
  • Thermochemistry
  • NormalModeBFGS
  • panther.anharmonicity
  • panther.displacements module
  • panther.io module
  • panther.nmrelaxation module
  • panther.panther module
  • panther.pes module
  • panther.plotting module
  • panther.vibrations module

Citing

If you use panther in a scientific publication, please cite the software as

• 12. 13. Mentel, PANTHER - Python Package for Anharmonic Thermochemistry, 2016–, https://bitbucket.org/lukaszmentel/panther

An example of a BibTeX entry can look like this:

@misc{panther2016,
author = {Mentel, Lukasz Michal},
title = {{PANTHER}: Python Package for Anharmonic Thermochemistry},
year = {2016--},
url = {https://bitbucket.org/lukaszmentel/panther},
}

Funding

This project is supported by the RCN (The Research Council of Norway) project number 239193.

Indices and tables

• Index
• Module Index
• Search Page