Data and software: Stress and heat flux via automatic differentiation

<code>glp-archive</code> Code and Data for "Stress and heat flux with automatic differentiation" This repository contains data, code, and related artefacts supporting the following publication (preprint: <pre><code>Stress and heat flux via automatic differentiation by Marcel F. Langer, J. Thorben Frank, and Florian Knoop arXiv:2305.01401 </code></pre> This repository is available at https://github.com/sirmarcel/glp-archive. Selected versions are archived on Zenodo, under doi:10.5281/zenodo.7852530. Overview Each subfolder in this repository contains a <code>README.md</code> with additional information. The subfolders are: <code>results/</code>: Data and code that produced the figures in the manuscript <code>work/</code>: Computational workflows, models, etc. <code>infra/</code>: Project-specific infrastructure code <code>meta/</code>: Scripts for assembling this archive; can be ignored but is retained for transparency. Related external code The work in this repository relies on a few tools that the authors maintain separately: <code>glp</code> implements the quantities discussed in the manuscript <code>mlff</code> implements the so3krates model <code>tools.mlff</code> provides tools for the equation of state experiments These tools were developed during the work in the manuscript. The following versions/tags reflect what was used to obtain results: <code>glp @ v0.1.0</code> (tag) <code>mlff @ v1.0</code> (branch) <code>mlff.tools @ v0.0.1</code> We additionally note that the GK-MD functionality has been factored out into <code>gkx</code>. Versions <code>v1.0</code>: arXiv submission v1