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GES-mpalermo authored Oct 2, 2023
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# GES-comp-echem
> [!WARNING]
> As of October 6<sup>th</sup> 2023, the library development is discontinued.
![Tests](https://github.com/GES-compchem/GES-comp-echem/actions/workflows/tests.yml/badge.svg)

The `GES-comp-echem` library is a simple interface for carrying out computational chemistry calculations with a number of computational chemistry programs.

The documentation of the library can be found [here](https://ges-compchem.github.io/GES-comp-echem/).
The documentation of the library can be found [here](https://ges-compchem.github.io/GES-comp-echem/).

# Credits
* **Code architecture and idea:** Mattia F. Palermo (2021-2023)
* **Core developer:** Luca Babetto (2021-2023)
* **Developer:** Pierpaolo Pravatto (2022-2023)

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