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Molecular Dynamics analysis

Project description

# PolyPy

[![DOI](https://zenodo.org/badge/138055040.svg)](https://zenodo.org/badge/latestdoi/138055040) [![PyPI version](https://badge.fury.io/py/polypy.svg)](https://badge.fury.io/py/polypy) ![Version](https://img.shields.io/badge/Version-0.2-blue.svg?maxAge=2592000)

PolyPy is a small program that analyses DL_POLY outputs. Currently the functionality includes, 1/2D atomic density analysis, mean squared displacements and volume analysis.


### Installation

Download or clone the repository and install using the setup script as follows.

```
python setup.py build

python setup.py install
```

Alternatively with pip - This is easiest for anaconda users, simply type the following into anaconda prompt

```
pip install polypy
```

## Author
**Adam Symington**

Project details


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