To determine the elastic properties of each box, we first generate the DEM boxes, then we relax the system, and finally we compute the elastic properties.

To generate a DEM box, the user must launch:

• python3 box_0.006/seed_1/create_random.py

To relax a DEM box, the user must launch the script relax.in using LAMMPS:

• lmp -in box_0.006/seed_1/pressure_5.0/relax.in

To generate the elastic properties, the user must launch the script in.elastic using LAMMPS:

• lmp -in box_0.006/seed_1/pressure_5.0/elastic_properties/in.elastic

Please note that the user can launch several simulations at the same time on a cluster. The scripts create_run_fidis.sh, fidis.sh, and run_all.py were created to this purpose.

Once the data are generated, the user can plot the results using the script main.ipynb located in the notebooks.