pltRDF

Radial Distribution Function (RDF)

pltRDF is a Python package to plot RDF by reading a GSD file.

If your input is a trajectory, then it will consider only last frame.

Contributor

• Sumitava Kundu, IACS, Kolkata.

Installation

Prerequisites

1. python3 or higher
2. scikit-build
3. freud-v2.0.0 or higher
4. tbb and tbb-devel

Using PyPI

Use the package manager pip to install pltRDF. You must install tbb and tbb-devel separately, though wheels for tbb and tbb-devel exist on PyPi for specific operating systems. For example, on ubuntu, you may use the following command.

sudo apt install libtbb-dev

Now you are ready to use pip

pip install pltRDF

Using source code

git clone https://github.com/sumitavakundu007/pltRDF.git
cd pltRDF-X.X.X
python3 setup.py install --user

Usage

import pltRDF
pltRDF.rdf("input_file.gsd", "output_file.pdf") # a PDF file for RDF

It will ask for few inputs to calculate RDF like number of bins (bins), maximum cutoff distance (r_max)

Contributing

Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change.

Please make sure to update tests as appropriate.

License

[MIT](https://choosealicense.com/licenses/mit/