6.1. Standard packages

This is the list of standard packages in LAMMPS. The link for each package name gives more details.

Standard packages are supported by the LAMMPS developers and are written in a syntax and style consistent with the rest of LAMMPS. This means the developers will answer questions about them, debug and fix them if necessary, and keep them compatible with future changes to LAMMPS.

The “Example” column is a sub-directory in the examples directory of the distribution which has an input script that uses the package. E.g. “peptide” refers to the examples/peptide directory; USER/atc refers to the examples/USER/atc directory. The “Library” column indicates whether an extra library is needed to build and use the package:

  • no = no library

  • sys = system library: you likely have it on your machine

  • int = internal library: provided with LAMMPS, but you may need to build it

  • ext = external library: you will need to download and install it on your machine

Package

Description

Doc page

Example

Library

ASPHERE

aspherical particle models

Howto spherical

ellipse

no

BODY

body-style particles

Howto body

body

no

CLASS2

class 2 force fields

pair_style lj/class2

n/a

no

COLLOID

colloidal particles

atom_style colloid

colloid

no

COMPRESS

I/O compression

dump */gz

n/a

sys

CORESHELL

adiabatic core/shell model

Howto coreshell

coreshell

no

DIPOLE

point dipole particles

pair_style dipole/cut

dipole

no

GPU

GPU-enabled styles

Section gpu

Benchmarks

int

GRANULAR

granular systems

Howto granular

pour

no

KIM

OpenKIM wrapper

pair_style kim

kim

ext

KOKKOS

Kokkos-enabled styles

Speed kokkos

Benchmarks

no

KSPACE

long-range Coulombic solvers

kspace_style

peptide

no

LATTE

quantum DFTB forces via LATTE

fix latte

latte

ext

MANYBODY

many-body potentials

pair_style tersoff

shear

no

MC

Monte Carlo options

fix gcmc

n/a

no

MESSAGE

client/server messaging

message

message

int

MISC

miscellaneous single-file commands

n/a

no

no

MLIAP

multiple machine learning potentials

pair_style mliap

mliap

no

MOLECULE

molecular system force fields

Howto bioFF

peptide

no

MPIIO

MPI parallel I/O dump and restart

dump

n/a

no

MSCG

multi-scale coarse-graining wrapper

fix mscg

mscg

ext

OPT

optimized pair styles

Speed opt

Benchmarks

no

PERI

Peridynamics models

pair_style peri

peri

no

POEMS

coupled rigid body motion

fix poems

rigid

int

PYTHON

embed Python code in an input script

python

python

sys

QEQ

QEq charge equilibration

fix qeq

qeq

no

REPLICA

multi-replica methods

Howto replica

tad

no

RIGID

rigid bodies and constraints

fix rigid

rigid

no

SHOCK

shock loading methods

fix msst

n/a

no

SNAP

quantum-fitted potential

pair_style snap

snap

no

SPIN

magnetic atomic spin dynamics

Howto spins

SPIN

no

SRD

stochastic rotation dynamics

fix srd

srd

no

VORONOI

Voronoi tesselation

compute voronoi/atom

n/a

ext