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ResponseFun

Fun with Response Functions in the Algebraic Diagrammatic Construction Framework.

Development

A suitable conda environment for development can be created from the ci_env.yml file.

Tests can be run with pytest responsefun, or pytest --pyargs responsefun if the package is installed. To exclude the slowest test, run pytest -k "not slow" responsefun.

Code style is enforced through black (formatting), isort (sorting import statements), and ruff (linting).

Copyright

Copyright (c) 2023, The responsefun Developers

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.0.