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lammps

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a molecular dynamics simulation software package designed for simulating large systems of particles on parallel computing architectures. It can simulate a wide range of systems including solids, liquids, gases, and biomolecules. LAMMPS includes a vast array of features and capabilities for studying complex materials and chemical reactions at the atomic scale. The software is open-source and freely available to researchers worldwide. LAMMPS is widely used in academic research as well as in industry for materials design, drug discovery, and other applications.

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