LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesoscale to continuum. Verlet, Computer experiments on classical fluids: I.

⚡ This is an original paraphrased summary — not copied from the abstract. Full paper available at the source link below.

• 1 Reasons for its popularity are that it provides a wide variety of particle interaction models for different materials, that it runs on any platform from a single CPU core to the largest supercomputers with accelerators, and that it gives users control over simulation details, either via the input script or by adding code for new interatomic potentials, constraints, diagnostics, or other features needed for their models.
• 2 As a result, hundreds of people have contributed new capabilities to LAMMPS and it has grown from fifty thousand lines of code in 2004 to a million lines today.
• 3 In this paper several of the fundamental algorithms used in LAMMPS are described along with the design strategies which have made it flexible for both users and developers.

This work deepens our understanding of the fundamental laws governing the universe, from subatomic particles to cosmic structures.

This summary is based on publicly available metadata and abstract. For the full research paper, visit the original source: