A localization transition underlies the mode-coupling crossover of glasses

This dataset is associated to "A localization transition underlies the mode-coupling crossover of glasses" by D. Coslovich, A. Ninarello and L. Berthier [https://arxiv.org/abs/1811.03171].

It includes post-processed data and workflow to reproduce the analysis and the figures of the article and of the supplemental information.

Supplementary information is available in the Supplement section of the project document (project.pdf).

The easiest way to reproduce the analysis and figures, and then check the results, is to use the make script:

./make all

Alternatively, the analysis and figures can be reproduced in any of the following ways

• following the workflow described in the org-mode project file project.org
• using the individual bash and gnuplot scripts in src/ and plots/

Folders and files description:

• analysis/: post-processed data
• src/: bash, python and gnuplot scripts needed to reproduce the analysis
• plots/: eps figures that appear in the paper and supplemental information and associated gnuplot scripts
• make: convenience script to setup the python environment, analyze the data and reproduce the figures
• project.org: org-mode project file with workflow and supplemental information
• project.pdf: pdf project file with workflow and supplemental information
• project.bib: bibtex bibliography associated to the project
• project.setup: org-mode export configuration

Dependencies:

• numpy (1.21.6)
• scipy (1.11.1)
• argh (0.26.2)
• atooms (1.9.1)
• gnuplot (5.0.0)

The analysis scripts have been tested with python 3.8. The org-mode project file has been tested with org version 9.1.13.

Note: this dataset does not contain (at least yet) the particle configurations associated to saddle points, only the post-processed files containing selected properties of their normal modes.

Changelog:

• 1.2.2
  • fix requirements
• 1.2.1
  • fix ./src/adiff.py
  • fix final check of ./make all
  • improve pdf layout
  • improve handling of org properties
• 1.2.0
  • add analysis of eigenvector-following optimizations
  • small changes and fixes to analysis scripts
• 1.1.0
  • add "all" target to ./make
  • fix ./make check
  • improve setup description
• 1.0.0
  • initial submission