Revisiting the single-saddle model of the β-relaxation of supercooled liquids

This dataset is associated with "Revisiting the single-saddle model of the β-relaxation of supercooled liquids", by D. Coslovich and A. Ikeda. It includes data and workflow to allow for the replication of the analysis and plots of the manuscript.

To reproduce the workflow on a minimal dataset, download and extract the package ssm.tar.gz, then execute

./make test

If the workflow fails because of missing dependencies, download the docker image ssm-docker.tar.gz, load the image and execute the same command within the container.

Make sure you have at least 5 Gb of free space on your disk if you use the package, and 15 Gb if you use the docker image.

See project.pdf below for full details about the workflow.

Changelog:

• 1.0.1: logger fails quietly if bc is missing, add Dockerfile to package
• 1.0.0: initial submission