Description:

aiida orca 0.7.0

aiida-orca
AiiDA plugin for orca package
DISCLAIMER: Under heavy development!





Compatible with:







Installation
The latest release can be installed from PyPI
pip install aiida-orca

The current development version can be installed via
git clone https://github.com/pzarabadip/aiida-orca.git
cd aiida-orca
pip install .

aiida-common-workflows
The aiida-orca package is available in the
aiida-common-workflow package.
You may try it to have a quick setup and exploration of aiida-orca and many more packages.
For further details, please check our paper on aiida-common-worlflows.
Contribution guide
We welcome contribution to the code either it is a new feature implementation or bug fix.
Please check the Developer Guide
in documentation for the instructions.
Issue reporting
Please feel free to open an issue to report bugs or requesting new features.
Acknowledgment
I would like to thank the funding received from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Actions and cofinancing by the South Moravian Region under agreement 665860. This software reflects only the authors’ view and the EU is not responsible for any use that may be made of the information it contains.

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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