Contributing ============ Contributions to FLAKE are welcome in any form: bug reports, feature requests, documentation improvements, or code. Reporting bugs and requesting features --------------------------------------- Please open an issue on the `GitHub issue tracker `_. Include where relevant: - FLAKE version (``pip show flake-rigid``) - A minimal reproducible example (YAML parameter file + Python snippet or CLI command) - The error message or unexpected output Contributing code ----------------- Fork the repository or open a branch, make your changes, and submit a pull request against ``main``. A few guidelines: - Install in editable mode with dev dependencies before starting: .. code-block:: console pip install -e ".[dev]" - Keep new physics consistent with the conventions already in the codebase (units, coordinate conventions, error handling — see :doc:`intro`). - Run the test suite and make sure nothing is broken: .. code-block:: console pytest -v -m "not slow" - New features or substrate types are much easier to review if they come with a short test or example. This is a small research project, so expectations are flexible — if in doubt, open an issue first to discuss before investing time in a large change. Questions --------- For questions about the physics or the intended use of FLAKE, open a `GitHub Discussion `_ or contact the author directly (see the repository ``CITATION.cff``).