Package for calculating thermochemistry with anharmonic corrections

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  • License: MIT License (MIT)
  • Author: Lukasz Mentel
  • Maintainer: Lukasz Mentel
  • Tags vibrations, anharmonic, thermochemistry, chemistry, physics
  • Requires: Python >=3.8, <3.10
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Project description

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.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for lmentel from gravatar.com lmentel

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT)
  • Author: Lukasz Mentel
  • Maintainer: Lukasz Mentel
  • Tags vibrations, anharmonic, thermochemistry, chemistry, physics
  • Requires: Python >=3.8, <3.10
Classifiers

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This version

0.5.2

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