Higher level section - LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands

LAMMPS features

LAMMPS is a classical molecular dynamics (MD) code with these general classes of functionality:


General features

Particle and model types

(atom style command)

Interatomic potentials (force fields)

(pair style, bond style, angle style, dihedral style, improper style, kspace style commands)

Atom creation

(read_data, lattice, create_atoms, delete_atoms, displace_atoms, replicate commands)

Ensembles, constraints, and boundary conditions

(fix command)

Integrators

(run, run_style, minimize commands)

Diagnostics

Output

(dump, restart commands)

Multi-replica models

Pre- and post-processing

Specialized features

LAMMPS can be built with optional packages which implement a variety of additional capabilities. See the Packages doc page for details.

These are LAMMPS capabilities which you may not think of as typical classical MD options: