paircorrelation2d

paircorrelation2d is a Python module to compute the 2D pair correlation function (radial distribution function) g(r) for a set of points, corrected to take account of the boundary effects.

A more detailed explanation on the different type of corrections to take account of boundary effects can be found in Natsuda Klongvessa (Ong)'s PhD Thesis, section 3.3.1 (pages 51-52), available online: Study of Dense Assemblies of Active Colloids : collective Behavior and Rheological Properties.

Installation

Simply put the script in your working directory (or in any directory you added to your python path).

Usage

For the impatient

import matplotlib.pyplot as plt
from paircorrelation2d import pcf2d

#Assuming array_positions is a Nx2 numpy array containing the 2D coordinates of N points
#Assuming bins_distances is a Mx1 numpy array containing bin edges defining the values of r for which g(r) is going to be computed

[g_of_r,r]=pcf2d(array_positions, bins_distances)

plt.plot(r,g_of_r)

For the patient

See example.ipynb for a detailed presentation.

Requirements

• numpy (>=1.19)
• matplotlib (>=3.3)
• shapely (>=1.8)

Citation

If you would like to use this code in a scientific work, please cite as:

paircorrelation2d (v1.0), A. Bérut (2022). DOI: 10.5281/zenodo.19227289

License

MIT