LAMMPS Features

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

A general overview of LAMMPS is given in the intro section of the LAMMPS documentation. To learn details of a feature, find the input script command(s) that implement it, and read their doc pages.

General features

Particle and model types

(atom style command)

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)


(run, run_style, minimize commands)



(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. An overview of all the packages is given here.

These are some LAMMPS capabilities which you may not think of as typical classical molecular dynamics options: