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Merge pull request #345 from JaGeo/JaGeo-patch-3
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JaGeo authored Nov 3, 2024
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Expand Up @@ -83,10 +83,13 @@ It is also possible to start this automatic analysis from a Python script. See "


## How to cite?
Please cite our paper: A. A. Naik, K. Ueltzen, C. Ertural, A. J. Jackson, J. George, *Journal of Open Source Software* **2024**, *9*, 6286. [https://joss.theoj.org/papers/10.21105/joss.06286](https://joss.theoj.org/papers/10.21105/joss.06286).
Please cite our papers:
* A. A. Naik, K. Ueltzen, C. Ertural, A. J. Jackson, J. George, *Journal of Open Source Software* **2024**, *9*, 6286. [https://joss.theoj.org/papers/10.21105/joss.06286](https://joss.theoj.org/papers/10.21105/joss.06286).
* J. George, G. Petretto, A. Naik, M. Esters, A. J. Jackson, R. Nelson, R. Dronskowski, G.-M. Rignanese, G. Hautier, *ChemPlusChem* **2022**, *87*, e202200123. [https://doi.org/10.1002/cplu.202200123](https://doi.org/10.1002/cplu.202200123) (Information on the methodology of the automatic analysis)

Please cite [pymatgen](https://github.com/materialsproject/pymatgen), [Lobster](https://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=1), and [ChemEnv](https://doi.org/10.1107/S2052520620007994) correctly as well.

You can find more information on the methodology of the automatic analysis in J. George, G. Petretto, A. Naik, M. Esters, A. J. Jackson, R. Nelson, R. Dronskowski, G.-M. Rignanese, G. Hautier, *ChemPlusChem* **2022**, *87*, e202200123. [https://doi.org/10.1002/cplu.202200123](https://doi.org/10.1002/cplu.202200123).
.

## LobsterPy is now a part of an atomate2 workflow
![LobsterWorkflow](https://github.com/JaGeo/LobsterPy/assets/22094846/337615ac-542e-446c-bc63-fb5946b16544)
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