1. Features

2. See also

3. References

4. External links

LAMMPS was originally developed under a Cooperative Research and Development Agreement (CRADA) between two laboratories from United States Department of Energy and three other laboratories from private sector firms.^[1] {{As of|2016}}, it is maintained and distributed by researchers at the Sandia National Laboratories and Temple University.^[1]

Features

For computing efficiency, LAMMPS uses neighbor lists (Verlet lists) to keep track of nearby particles. The lists are optimized for systems with particles that repel at short distances, so that the local density of particles never grows too large.

On parallel computers, LAMMPS uses spatial-decomposition techniques to partition the simulation domain into small 3d sub-domains, one of which is assigned to each processor. Processors communicate and store ghost atom information for atoms that border their subdomain. LAMMPS is most efficient (in a parallel computing sense) for systems whose particles fill a 3D rectangular box with approximately uniform density.

See also

• Parallel computing
• Comparison of software for molecular mechanics modeling
• Molecular design software

References

External links

• {{Official website|lammps.sandia.gov}}

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