Credits

Pyrough is currently maintained by Dr. Jonathan Amodeo, CNRS researcher at IM2NP, Aix-Marseille University

Pyrough relies on a few libraries (ASE, Atomsk, gmsh, etc.), and their authors are warmly acknowledged.

The foundations of Pyrough are based on early discussions with Dr. Javier-Antonio Gonzalez-Joa at MATEIS, INSA-Lyon. He helped me nurture the idea, and together we supervised the first internship related to the code. In that context, I would like also to thank Jennifer Izaguire, Benjamin Goument, Dr. Christophe Le-Bourlot (sphere object) and Dr. Joel Lachambre for their help with Pyrough first lines of code.

My heartfelt thanks to Dr. Hugo Iteney with whom we developed the first stable and official version of the code.

Finally, I would also like to thant Anastasiia Walrave (IM2NP, AMU) and Gael Huynh (ILM, Univ. Lyon 1) for their contribution to Pyrough.

When using Pyrough in your research please cite:

Iteney, Hugo, Javier Antonio Gonzalez Joa, Christophe Le Bourlot, Thomas W. Cornelius, Olivier Thomas, and Jonathan Amodeo. “Pyrough: A Tool to Build 3D Samples with Rough Surfaces for Atomistic and Finite-Element Simulations.” Computer Physics Communications 295 (February 2024): 108958. https://doi.org/10.1016/j.cpc.2023.108958.