sci-physics/

lammps

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) 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.

Local USE flags

• cuda
• kokkos
• lammps-memalign

Global USE flags

• examples
• gzip
• mpi
• netcdf
• python
• test

python_targets (USE_EXPAND)

• python3_6
• python3_7

GPL-2

Nicolas Bock, Gentoo Physics Project