LAMMPS

Classical molecular dynamics simulator built to run efficiently on parallel computers

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LAMMPS is a classical molecular dynamics simulation code built to run efficiently on parallel computers, developed at Sandia National Laboratories and released under the GPL. It ships with interatomic potential files, example and benchmark inputs, pre- and post-processing tools, and Python and Fortran interfaces, along with extensive documentation on building, running and extending it. It is used by computational materials scientists, chemists and physicists.

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