Data and scripts from "Unsupervised learning for structure detection in plastically deformed crystals"

<p>This documents contains the scripts and dataset used for the paper&nbsp;&quot;Unsupervised learning for structure detection in plastically deformed crystals&quot;.</p> <p>&nbsp;</p> <p>More precisely it contains 4 folders :</p> <p><br> DumpForFigures : subfolder containing the atomic positions in .dump format (see lammps documentation) used for the article figures.</p> <p>DumpForTraining : subfolder containing the atomic position in .dump format (see lammps documentation) used for training the autoencoder.</p> <p>ScriptsToDetectStructuresFromDump : subfolder containing the script sused to detect the substructures of the system by combining autoencoder and clustering methods. This folder contains a readme with the details of the contents.</p> <p>ScriptToGenerateDump : subfolder containing the scripts used to generate the atomic data with molecular dynamics. These data are then used to train the autoencoder. This folder contains a readme with the details of the contents.</p> <p>REQUIREMENTS :</p> <p>&nbsp;</p> <p>Lammps</p> <p>Python3 with packages :</p> <p>-numpy</p> <p>-matplotlib</p> <p>-pyscal</p> <p>-sci-kit learn</p> <p>-pytorch</p> <p>-glob</p> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p>