Dear maintainers,
I hope you are well.
I would like to raise a concern about the implementation of compute_gamma_radii() in the WenAlloys class of Matminer.
Specifically, it seems that:
The formula implemented in the code does not match the formula shown in the docstring.
Neither the implemented formula nor the docstring formula aligns with the formula described in the paper by Wen et al. or the original proposition (https://doi.org/10.1016/j.scriptamat.2014.09.010).
Could you clarify whether there is a specific reason for this difference?
Or is this a discrepancy that should be addressed?
Thank you very much for your time, and for the excellent work on Matminer.
Best regards,
Aldo
Dear maintainers,
I hope you are well.
I would like to raise a concern about the implementation of compute_gamma_radii() in the WenAlloys class of Matminer.
Specifically, it seems that:
The formula implemented in the code does not match the formula shown in the docstring.
Neither the implemented formula nor the docstring formula aligns with the formula described in the paper by Wen et al. or the original proposition (https://doi.org/10.1016/j.scriptamat.2014.09.010).
Could you clarify whether there is a specific reason for this difference?
Or is this a discrepancy that should be addressed?
Thank you very much for your time, and for the excellent work on Matminer.
Best regards,
Aldo