Metadata-Version: 2.4
Name: mdapy
Version: 1.0.5
Summary: Mdapy: molecular dynamics simulation analysis in Python
Author-Email: Yongchao Wu <934313174@qq.com>
License-Expression: BSD-3-Clause
License-File: LICENSE
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Programming Language :: C++
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Project-URL: Homepage, https://github.com/mushroomfire/mdapy
Requires-Python: >=3.9
Requires-Dist: numpy
Requires-Dist: polars
Provides-Extra: plot
Requires-Dist: matplotlib; extra == "plot"
Provides-Extra: k3d
Requires-Dist: k3d; extra == "k3d"
Provides-Extra: pyfftw
Requires-Dist: pyfftw; extra == "pyfftw"
Provides-Extra: phonopy
Requires-Dist: phonopy; extra == "phonopy"
Provides-Extra: all
Requires-Dist: matplotlib; extra == "all"
Requires-Dist: k3d; extra == "all"
Requires-Dist: pyfftw; extra == "all"
Requires-Dist: phonopy; extra == "all"
Description-Content-Type: text/x-rst

**mdapy** : Molecular Dynamics Analysis with Python
-----------------------------------------------------

Overview
---------

The **mdapy** provides a comprehensive suite of powerful, 
flexible, and straightforward tools for analyzing atomic 
trajectories generated from Molecular Dynamics (MD) simulations.

Resources
----------

- Homepage: https://github.com/mushroomfire/mdapy
- Documentation: https://mdapy.readthedocs.io/
- Issue Tracker: https://github.com/mushroomfire/mdapy/issues
- Tutorial: https://github.com/mushroomfire/mdapy-tutorial
