Metadata-Version: 2.1
Name: PQAnalysis
Version: 0.4.0
Summary: PQAnalysis is a python package for the analysis of PIMD-QMCF simulations.
Author-email: Jakob Gamper <97gamjak@gmail.com>, "Josef M. Gallmetzer" <gallmetzer.josef@gmail.com>, "Clarissa A. Seidler" <clarissa.seidler@gmail.com>
Project-URL: Homepage, https://github.com/MolarVerse/PQAnalysis
Project-URL: PIMD-QMCF, https://github.com/MolarVerse/pimd_qmcf
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: beartype
Requires-Dist: multimethod
Provides-Extra: docs
Requires-Dist: sphinx ; extra == 'docs'
Requires-Dist: sphinx-sitemap ; extra == 'docs'
Requires-Dist: myst-parser ; extra == 'docs'
Requires-Dist: sphinx-rtd-theme ; extra == 'docs'
Provides-Extra: test
Requires-Dist: pytest ; extra == 'test'
Requires-Dist: coverage ; extra == 'test'
Requires-Dist: pytest-cov ; extra == 'test'

# PQAnalysis

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[![Docs](https://github.com/MolarVerse/PQAnalysis/actions/workflows/docs.yml/badge.svg)](https://MolarVerse.github.io/PQAnalysis/)
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[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)

The main purpose of this package is to provide useful tools for the analysis of the Molecular Dynamics software package [PIMD-QMCF](https://github.com/MolarVerse/pimd_qmcf). Furthermore, the intent of this package is to enable straightforward implementations of newly developed analysis tools on top of the provided API.

The future development of this package focuses on two main goals. On the one hand the enhancement of the provided analysis tools and extending its API to be compatible with many other different Molecular Dynamics engines. As this project is only a *hobby* project of the maintainers, any contributions considering enhancement or bug fixes are highly welcomed.
