ACEhamiltonians

This repository provides a selection of curated Jupyter notebooks that are intended to act an introduction point to the ACEhamiltonians package. These introductory notebooks can be found in the Examples directory and each cover a particular aspect of using the ACEhamiltonians package. In addition to this there is a second directory, namely Archive, with a notebook detailing the arXiv.2111.13736 branch; which represents a snapshot of the code as it was when it was used to generate the results for the release paper.