├── .circleci └── config.yml ├── .coveragerc ├── .gitignore ├── LICENSE.txt ├── README.md ├── README.rst ├── changelog.md ├── doc ├── Makefile └── source │ ├── bonds.rst │ ├── conf.py │ ├── index.rst │ ├── learned.rst │ ├── spherical_harmonics.rst │ └── voronoi.rst ├── examples ├── Steinhardt FCC HCP comparison.ipynb ├── Supervised Learning.ipynb └── Unsupervised Learning.ipynb ├── pythia ├── __init__.py ├── bonds.py ├── internal.py ├── learned │ ├── __init__.py │ ├── bonds.py │ └── spherical_harmonics.py ├── spherical_harmonics.py ├── version.py └── voronoi.py ├── requirements.txt ├── setup.cfg ├── setup.py └── tests ├── test_bonds.py ├── test_learned_bonds.py ├── test_learned_spherical_harmonics.py └── test_voronoi.py /.circleci/config.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/glotzerlab/pythia/HEAD/.circleci/config.yml -------------------------------------------------------------------------------- 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