A Python package to compute bond orientational order parameters as defined by Steinhardt Physical Review B (1983) doi:10.1103/PhysRevB.28.784.
Steinhardt's bond orientational order parameter is a popular method (>20k citations of the original paper) to identify local symmetries in an assembly of particles in 3D. It can be used in particle-based simulations (typically molecular dynamics, brownian dynamics, monte-carlo, etc.) or in particle-tracking experiments (colloids, granular materials) where the coordinates of all particles are known.
This code is under GPL 3.0 licence. See LICENCE file.
Please cite Pyboo and it's author(s) in any scientific publication using this software.
@misc{
pyboo,
title={Pyboo: A Python package to compute bond orientational order parameters},
author={Mathieu Leocmach},
year={2017},
doi={10.5281/zenodo.1066568},
url={https://github.com/MathieuLeocmach/pyboo}
}
Contact Mathieu LEOCMACH, Institut Lumière Matière, UMR-CNRS 5306, Lyon, France mathieu.leocmach AT univ-lyon1.fr
Dependencies are numpy, scipy and numba. Tested with python 2.7 and python 3.5.
You can install with pip: pip install pyboo
Documentation is avaiable on Readthedocs: [http://pyboo.readthedocs.io]