Citing grogupy

grogupy is a completely open-source software package. It is released under the MIT license. Currently there is no way to explicitly cite grogupy, but you can cite the underlying paper: Relativistic magnetic interactions from nonorthogonal basis sets.

@article{martinez2023relativistic,
    title={Relativistic magnetic interactions from nonorthogonal basis sets},
    author={Mart{\'\i}nez-Carracedo, Gabriel and Oroszl{\'a}ny, L{\'a}szl{\'o} and Garc{\'\i}a-Fuente, Amador and Ny{\'a}ri, Bendeg{\'u}z and Udvardi, L{\'a}szl{\'o} and Szunyogh, L{\'a}szl{\'o} and Ferrer, Jaime},
    journal={Physical Review B},
    volume={108},
    number={21},
    pages={214418},
    year={2023},
    publisher={APS}
}

grogupy builds on the sisl package, which should also be cited.

@software{zerothi_sisl,
author       = {Papior, Nick},
title        = {sisl: v0.14.3.},
year         = {2024},
doi          = {10.5281/zenodo.597181},
url          = {https://doi.org/10.5281/zenodo.597181}
}

Furthermore all the command line scripts and the grgupy package can print out the citation in bibtex format.

>>> import grogupy
>>> print(grogupy.cite)
    @article{martinez2023relativistic,
        title={Relativistic magnetic interactions from nonorthogonal basis sets},
        author={Mart{\'\i}nez-Carracedo, Gabriel and Oroszl{\'a}ny, L{\'a}szl{\'o} and Garc{\'\i}a-Fuente, Amador and Ny{\'a}ri, Bendeg{\'u}z and Udvardi, L{\'a}szl{\'o} and Szunyogh, L{\'a}szl{\'o} and Ferrer, Jaime},
        journal={Physical Review B},
        volume={108},
        number={21},
        pages={214418},
        year={2023},
        publisher={APS}
    }

    @software{zerothi_sisl,
    author       = {Papior, Nick},
    title        = {sisl: v0.14.3.},
    year         = {2024},
    doi          = {10.5281/zenodo.597181},
    url          = {https://doi.org/10.5281/zenodo.597181}
    }
grogupy --cite
@article{martinez2023relativistic,
    title={Relativistic magnetic interactions from nonorthogonal basis sets},
    author={Mart{\'\i}nez-Carracedo, Gabriel and Oroszl{\'a}ny, L{\'a}szl{\'o} and Garc{\'\i}a-Fuente, Amador and Ny{\'a}ri, Bendeg{\'u}z and Udvardi, L{\'a}szl{\'o} and Szunyogh, L{\'a}szl{\'o} and Ferrer, Jaime},
    journal={Physical Review B},
    volume={108},
    number={21},
    pages={214418},
    year={2023},
    publisher={APS}
}

@software{zerothi_sisl,
author       = {Papior, Nick},
title        = {sisl: v0.14.3.},
year         = {2024},
doi          = {10.5281/zenodo.597181},
url          = {https://doi.org/10.5281/zenodo.597181}
}