https://github.com/helveg/radialdf

Package for the radial distribution function of particles
https://github.com/helveg/radialdf

Last synced: 3 months ago
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Package for the radial distribution function of particles

• Host: GitHub
• URL: https://github.com/helveg/radialdf
• Owner: Helveg
• Created: 2020-12-31T23:12:25.000Z (about 4 years ago)
• Default Branch: main
• Last Pushed: 2021-10-11T16:30:09.000Z (over 3 years ago)
• Last Synced: 2024-10-07T03:09:13.916Z (3 months ago)
• Language: Python
• Size: 14.6 KB
• Stars: 2
• Watchers: 2
• Forks: 2
• Open Issues: 4
• Metadata Files:
  • Readme: README.md

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README

        
# Radial Distribution Function

This package provides the radial distribution function to analyze the radial density of

particles around other particles. The package provides a single function `inner_rdf` that

calculates the RDF but excludes the border regions (as they would require n-dimensional

intersection of shapes, which isn't computationally feasible).

A future version, if my short attention span permits it, will provide an `rdf` function

that handles the 2D and 3D cases with the inclusion of the border regions.

## Example

```python

from radialdf import inner_rdf

import numpy as np

import plotly.graph_objs as go

# Generate 10000 random particles with 3 coordinates between 0 and 100

particles = np.random.rand(10000, 3) * 100

# Define a volume from 0 to 100 on 3 axes

box = [[0, 100]] * 3

# Check the radial distribution, which should be pretty boring and flat

g = inner_rdf(box, particles, 20, 0.2)

go.Figure(go.Scatter(x=[i * 0.2 for i in range(21)], y=g)).show()

```