This repository contains code for generating parameter files for the EAM-X simple EAM parameterization format created by Murray Daw and Michael Chandross.

References:

• https://doi.org/10.1016/j.actamat.2023.118771 The original elemental EAM-X description
• https://doi.org/10.1016/j.actamat.2023.118772 The original alloy EAM-X description
• https://github.com/sandialabs/EAM-X-Potential-Generator The archived version of the EAM-X parameter file code

The contents of this repository are:

• eamx: A Python package with a new class-based generator for EAM-X potentials. It produces parameter files consistent with the original EAM-X code but offers more convenient interfaces for interacting with it.
• originaleamx: A Python package built by performing minimal changes to the original EAM-X code files.
• supporting files: All other non-Python files from the original code repository.
• Jupyter Notebooks outlining usage of the new and original EAM-X codes.