rdfpy is a Python package for computing 2D and 3D radial distribution functions.
Project description
rdfpy is a Python library for fast computation of 2D and 3D radial distribution functions.
Installation
$ pip install rdfpy
Usage
import numpy as np
from rdfpy import rdf3d
particles = np.random.uniform(0.0, 20.0, size=(2500, 3)) # random particles in a 20x20x20 box
g_r, radii = rdf3d(particles, dr=0.1)
You can find a more detailed example in the Documentation.
Note: In order for rdfpy to work correctly, your particles should spatially be in a cuboidal box, where the entire box is filled with particles.
Authors
Citation
If you use rdfpy in your work, please cite:
@software{batuhan_yildirim_2020_3932173,
author = {Batuhan Yildirim},
title = {by256/rdfpy: rdfpy-v0.1.4},
month = {July},
year = {2020},
publisher = {Zenodo},
version = {v0.1.4},
doi = {10.5281/zenodo.3932173},
url = {https://doi.org/10.5281/zenodo.3932173}
}
License
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