https://github.com/maxscheurer/responsefun
Fun with Response Functions
https://github.com/maxscheurer/responsefun
Last synced: 5 months ago
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Fun with Response Functions
- Host: GitHub
- URL: https://github.com/maxscheurer/responsefun
- Owner: maxscheurer
- License: gpl-3.0
- Created: 2019-03-18T16:24:41.000Z (over 7 years ago)
- Default Branch: master
- Last Pushed: 2025-07-03T09:19:32.000Z (12 months ago)
- Last Synced: 2025-07-03T10:29:30.321Z (12 months ago)
- Language: Python
- Size: 685 KB
- Stars: 3
- Watchers: 2
- Forks: 3
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- Contributing: .github/CONTRIBUTING.md
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
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README
ResponseFun
==============================
Fun with Response Functions in the Algebraic Diagrammatic Construction Framework.
### Installation
You can install `responsefun` with Conda using the conda-forge channel:
```bash
conda install responsefun -c conda-forge
```
### Development
A suitable `conda` environment for development can be created from the `ci_env.yml` file.
After cloning the repository and navigating to the responsefun directory, the `responsefun` python package can be installed with the following command:
`pip install -e .`
Tests can be run with `pytest responsefun`, or `pytest --pyargs responsefun` if the package is installed.
To exclude the slowest test, run `pytest -m "not slow" responsefun`.
Code style is enforced through `black` (formatting), `isort` (sorting import statements), and `ruff` (linting).
### Citation
If you use `responsefun`, please cite [our article in JCTC.](https://doi.org/10.1021/acs.jctc.3c00456)
### Copyright
Copyright (c) 2023, The `responsefun` Developers
#### Acknowledgements
Project based on the
[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.0.