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馃殌 added zenodo link and doi and sample graphs
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ezpzbz committed Jul 21, 2022
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11 changes: 11 additions & 0 deletions README.md
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Expand Up @@ -19,6 +19,17 @@ Compatible with:
# Installation, usage, and available workchains
Please check the [documentation](http://aiida-catmat.readthedocs.io/).


# Sample provenance graph
Below are sample provence graphs from calculations performed using ``aiida-catmat`` package.

![graph](./misc/graph.png)


# Citation
If you use this package in your research, please consider citing [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.6877599.svg)](https://doi.org/10.5281/zenodo.6877599)


# Contact
Please contact [Pezhman Zarabadi-Poor](www.github.com/pzarabadip) if you have any questions regarding this package.

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2 changes: 2 additions & 0 deletions docs/source/index.rst
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Expand Up @@ -16,6 +16,8 @@ The `aiida-catmat`_ plugin for `AiiDA`_
If you use this plugin for your research, please cite the following work:

.. highlights:: Pezhman Zarabadi-Poor, *AiiDA-catmat package*.
.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.6877599.svg
:target: https://doi.org/10.5281/zenodo.6877599

If you use AiiDA for your research, please cite the following work:

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