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rdfpy is a Python package for computing 2D and 3D radial distribution functions.

Project description

rdfpy

rdfpy is a Python package for computing 2D and 3D radial distribution functions.

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Installation

$ pip install rdfpy

Usage

import numpy as np
from rdfpy import rdf3d

r = 0.5  # arbitrary radius for random example
particles = np.random.uniform(0.0, 10.0, size=(1000, 3))  # random particles in a 10x10x10 box

g_r, radii = rdf3d(particles, r, h=10, w=10, d=10, n_radii=128)

Authors

Batuhan Yildirim

License

License

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rdfpy-0.1.1.tar.gz (2.5 kB view hashes)

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