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README.md

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phono3py

A simulation package of phonon-phonon interaction related properties. Phono3py user documentation is found at http://phonopy.github.io/phono3py/.

Mailing list for questions

Usual phono3py questions should be sent to phonopy mailing list (https://sourceforge.net/p/phonopy/mailman/).

Development

The development of phono3py is managed on the develop branch of github phono3py repository.

  • Github issues is the place to discuss about phono3py issues.

  • Github pull request is the place to request merging source code.

  • Python 3.7 will be the minimum requirement soon.

  • Formatting is written in pyproject.toml.

  • Not strictly, but VSCode's settings.json may be written like

    "python.linting.flake8Enabled": true,
"python.linting.flake8Args": ["--max-line-length=88", "--ignore=E203,W503"],
"python.linting.enabled": true,
"python.linting.pylintEnabled": false,
"python.linting.mypyEnabled": true,
"python.linting.pycodestyleEnabled": false,
"python.linting.pydocstyleEnabled": true,
"python.formatting.provider": "black",

Documentation

Phono3py user documentation is written using python sphinx. The source files are stored in doc directory. Please see how to write the documentation at doc/README.md.

How to run tests

You need pytest. At home directory of phono3py after setup,

% pytest