polyaenum

Name	polyaenum JSON
Version	0.0.1 JSON
	download
home_page	https://github.com/killiansheriff/polya
Summary	A python implementation of Polya's enumeration theory.
upload_time	2024-03-13 23:40:07
maintainer
docs_url	None
author	Killian Sheriff
requires_python
license	MIT
keywords
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # Polya 
![PyPI Version](https://img.shields.io/pypi/v/polyaenum.svg) ![PyPI Downloads](https://static.pepy.tech/badge/polyaenum)

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. 

```python
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:
```bash
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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