Metadata-Version: 2.1
Name: mdforce
Version: 0.0.0
Summary: MDForce is a package to calculate the force field, potential energy and related data in molecular dynamics simulations
Home-page: https://github.com/Armin-Ariamajd/mdforce
Author: Armin Ariamajd
Author-email: a.ariamajd@gmail.com
License: GNU Affero General Public License v3
Project-URL: Bug Tracker, https://github.com/Armin-Ariamajd/mdforce/issues
Keywords: Molecular dynamics,MD,MD simulation,force field,potential energy
Platform: any
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU Affero General Public License v3
Classifier: Operating System :: OS Independent
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Education
Classifier: Natural Language :: English
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.6
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy (>=1.17)
Requires-Dist: pandas

# MDForce
[![PyPI Latest Release](https://img.shields.io/pypi/v/mdforce.svg)](https://pypi.org/project/mdforce/)
[![Package Status](https://img.shields.io/pypi/status/mdforce.svg)](https://pypi.org/project/mdforce/)
[![License](https://img.shields.io/pypi/l/mdforce.svg)](https://github.com/Armin-Ariamajd/mdforce/blob/main/LICENSE)


MDForce is a package for molecular dynamics (MD) simulations; it offers:
* force-field and potential energy calculations

## Installing
```sh
pip install mdforce
```

## Manual
See the [provided Jupyter notebooks](https://github.com/Armin-Ariamajd/mdforce/tree/main/docs) for demonstration of the core functionalities.


