AiiDA plugin for Bader charge analysis.
To install from PyPI, simply execute:
pip install aiida-bader
or when installing from source:
git clone https://github.com/superstar54/aiida-bader
pip install aiida-bader
To run the tests, simply clone and install the package locally with the [tests] optional dependencies:
git clone https://github.com/superstar54/aiida-bader .
cd aiida-bader
pip install -e .[tests] # install extra dependencies for test
pytest # run tests
To contribute to this repository, please enable pre-commit so the code in commits are conform to the standards.
Simply install the repository with the pre-commit extra dependencies:
cd aiida-bader
pip install -e .[pre-commit]
pre-commit install
The aiida-bader plugin package is released under the MIT license.
See the LICENSE file for more details.
We acknowledge support from:
FAQs
Collections of node-based workflow created using aiida-workgraph.
We found that aiida-bader demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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