LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or mesoscale systems using a variety of force fields and boundary conditions and is easy to modify or extend.
Features
- serial, MPI, OpenMP, GPU
- C++
- spatial domain decomposition
- modular, easy to extend
- Python interface
- atomic, coarse-grain, mesoscale
License
GNU General Public License version 2.0 (GPLv2)Follow LAMMPS
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