Software:lammps
From CAC Wiki
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator)
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LAMMPS is a classical molecular dynamics code. It has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.
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