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
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