A python implementation of Polya's enumeration theory.
Project description
Polya
A python implementation of Polya's enumeration theory and pattern inventory formula.
Usage
Here is an example on how to extract the cycle index polynomial (p_g) and number of distinct first coordination polyhedron (nms) for the fcc crystal structure with a number of ntypes = 3 chemical elements. Additonal graph geometries can be defined in polya/_src/graphs.py
. This example can be found in the examples/
folder.
from polya import Polya
pl = Polya(graph_name="fcc")
p_g, nms = pl.get_gt(ntypes=3)
print(p_g)
Installation
For a standalone Python package or Conda environment, please use:
pip install --user polya
If you want to install the lastest git commit, please replace polya
by git+https://github.com/killiansheriff/polya.git
.
Contact
If any questions, feel free to contact me (ksheriff at mit dot edu).
References & Citing
If you use this repository in your work, please cite:
@article{TOBEUPDATED,
title={TOBEUPDATED},
author={Sheriff, Killian and Cao, Yifan and Freitas, Rodrigo},
journal={arXiv preprint TOBEUPDATED},
year={2024}
}
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