Visualization ============= RDF plots --------- .. code-block:: bash plot_rdf_data # Plot pre-computed RDF data files MD statistics ------------- .. code-block:: bash plot_vasp_md # Energy, temperature, pressure from VASP MD plot_lammps_md # Energy, temperature from LAMMPS log plot_md_stats # Generic MD statistics Clustering ---------- .. code-block:: bash plot_clusters # Visualise clustering results in 2D/3D All plot commands save figures as PNG files in the current directory.