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Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.

License: Other

Python 100.00%
python chemistry thermochemistry anharmonicity vibrations enthalpy entropy solid-state-chemistry molecules

panthera's Introduction

Documentation Status

panthera - program for anharmonic thermochemistry

Installation

The recommended installation method is with pip. The latest version can be installed directly from [bitbucket repository]:

pip install https://github.com/lmmentel/panthera.git

or cloned first

git clone https://github.com/lmmentel/panthera.git

and installed via

pip install -U [--user] ./panthera

Documentation

The documentatioan can be at panthera.rtfd.io.

Citing

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

| L. M. Mentel, panthera - Package for Anharmonic Thermochemistry, 2016. Available at: https://github.com/lmmentel/panthera

Funding

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

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