A Python project to plot Radial distribution function (RDF) from GSD file
Project description
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
Installation
Prerequisites
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
tar -xvf pltRDF-X.X.X
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
Project details
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Source Distribution
pltRDF-0.1.6.tar.gz
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Built Distribution
pltRDF-0.1.6-py3-none-any.whl
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