A Python package to compute bond orientational order parameters
Project description
# pyboo
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.
## Licence, citations, contact
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
## Installation
Dependencies are numpy, scipy and numba. Tested with python 2.7 and python 3.5.
You can install with pip:
pip install pyboo
## Documentation
Documentation is avaiable on Readthedocs: [http://pyboo.readthedocs.io]
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.
## Licence, citations, contact
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
## Installation
Dependencies are numpy, scipy and numba. Tested with python 2.7 and python 3.5.
You can install with pip:
pip install pyboo
## Documentation
Documentation is avaiable on Readthedocs: [http://pyboo.readthedocs.io]
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