This repository contains a bunch of python scripts which are used in pre- and post processing of LAMMPS simulations.
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Updated
May 20, 2022 - Jupyter Notebook
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lammps-toolbox
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The Virtual Characterization Lab (VCL) bridges the gap by producing model-based characterization data that mimics experimental outputs for seamless comparative analysis.
simulation molecular-dynamics crystallography characterization materials-science atomistic-simulations xray-diffraction vibrational-analysis input-converter gui-based research-software infrared-spectra lammps-toolbox saed material-evolution
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Mar 30, 2026 - Motoko
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