Molecular DynamicsCataloged
LAMMPS
Molecular dynamics simulator from Sandia for particle-based materials modeling with extensive potential library and GPU support.
- License
- GPL v2
- Access
- Open source
- Install
- Source · Package · Spack · Container
- Verification
- Cataloged ·
Key features
- diverse interatomic potentials
- GPU and OpenMP acceleration
- scalable MPI parallelization
- multiple thermostat/barostat options
Capabilities
- Particle methods
- Molecular simulation
- Parallel computing
- GPU acceleration