Metadata-Version: 2.1
Name: aiida-cp2k
Version: 1.4.1
Summary: The official AiiDA plugin for CP2K.
Home-page: https://github.com/aiidateam/aiida-cp2k
Author: The AiiDA team
Author-email: yakutovicha@gmail.com
License: MIT License
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python :: 3
Description-Content-Type: text/markdown
Provides-Extra: test
Provides-Extra: pre-commit
Provides-Extra: docs
License-File: LICENSE.txt

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# AiiDA CP2K
[AiiDA](http://www.aiida.net/) plugin for [CP2K](https://www.cp2k.org/).

## Installation

If you use `pip`, you can install it as: 
```
pip install aiida-cp2k
```

To install the plugin in an editable mode, run:
```
git clone https://github.com/aiidateam/aiida-cp2k
cd aiida-cp2k
pip install -e .  # Also installs aiida, if missing (but not postgres/rabbitmq).
```

## Links
* [Documentation](https://aiida-cp2k.readthedocs.io/en/latest/) for the calculation examples and features of the plugin.
* [Make an issue](https://github.com/aiidateam/aiida-cp2k/issues/new) for bug reports, questions and suggestions.
* [AiiDA](http://www.aiida.net/) to learn about AiiDA.
* [Cp2k](https://www.cp2k.org/) to learn about CP2K.


## License
MIT


## Contact
yakutovicha@gmail.com


## Acknowledgements
This work is supported by:
* the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en);
* the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598;
* the [swissuniversities P-5 project "Materials Cloud"](https://www.materialscloud.org/swissuniversities).

<img src="miscellaneous/logos/MARVEL.png" alt="MARVEL" style="padding:10px;" width="150"/>
<img src="miscellaneous/logos/MaX.png" alt="MaX" style="padding:10px;" width="250"/>
<img src="miscellaneous/logos/swissuniversities.png" alt="swissuniversities" style="padding:10px;" width="250"/>

