Dear Lammps developers,
I would like to contribute a compute style that implements a fingerprint to distinguish liquid and solid-like environments. The fingerprint is described in this article and is based on a two-body approximation for the entropy of fluids, we therefore call it “pair entropy fingerprint”.
You can find my implementation in this GitHub repository. I have also written an example and the documentation. Let me know if you have any comments and I can open a pull request.
Thank you.
Best regards,
Pablo Piaggi