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aiida-orca

AiiDA plugin for orca package

DISCLAIMER: Under heavy development!

Actions Status PyPI version Docs status codecov GitHub license

Compatible with:

aiida-core orca openmpi

Installation

git clone https://github.com/pzarabadip/aiida-orca
cd aiida-orca
pip install -e .

NOTE Currently, it is minimal plugin for an ongoing project. It will be updated to be able for doing wider ranger of calculations.

Contact

pzarabadip@gmail.com

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.

aiida-orca