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The official AiiDA plugin for INQ.

Project description

aiida-inq

AiiDA plugin for the LLNL developed INQ code.

A basic understanding of how to interact with AiiDA is required. Simple examples have been provided and can be found in the examples folder.

Basic installation

git clone https://github.com/LLNL/aiida-inq.git
cd aiida-inq
pip install -e .

Future work: Register the package with pypi for simple pip installation.

Release information

LLNL-CODE-2000432

AiiDA-INQ is provided under a standard MIT license.

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