Welcome to panthera’s documentation!

Contents:

• Installation
  • Dependencies
• User guide
  • panthera
  • 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
  • panthera.anharmonicity
  • panthera.displacements module
  • panthera.io module
  • panthera.nmrelaxation module
  • panthera.panthera module
  • panthera.pes module
  • panthera.plotting module
  • panthera.vibrations module

Citing

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

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

An example of a BibTeX entry can look like this:

@misc{panthera2016,
author = {Mentel, Lukasz Michal},
title = {{panthera}: Python Package for Anharmonic Thermochemistry},
year = {2016--},
url = {https://bitbucket.org/lukaszmentel/panthera},
}

Funding

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

Indices and tables

• Index

• Module Index

• Search Page