\(\renewcommand{\AA}{\text{Å}}\)
6.1. Available Packages
This is the list of packages included in LAMMPS. The link for each package name gives more details.
Packages are supported by either the LAMMPS developers or the contributing authors and written in a syntax and style consistent with the rest of LAMMPS.
The “Examples” column is a subdirectory in the examples directory of the
distribution which has one or more input scripts that use the package.
E.g. peptide refers to the examples/peptide directory; PACKAGES/atc refers
to the examples/PACKAGES/atc directory. The “Lib” 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 |
Examples |
Lib |
|---|---|---|---|---|
dump output via ADIOS |
|
ext |
||
AMOEBA and HIPPO force fields |
amoeba |
no |
||
aspherical particle models |
ellipse |
no |
||
Atom-to-Continuum coupling |
|
int |
||
wave packet MD |
|
int |
||
BOCS bottom up coarse graining |
|
no |
||
body-style particles |
body |
no |
||
bonded particle models |
bpm |
no |
||
Brownian dynamics, self-propelled particles |
|
no |
||
coarse-grained DNA force fields |
|
|
no |
|
SPICA (SDK) coarse-graining model |
|
no |
||
class 2 force fields |
n/a |
no |
||
colloidal particles |
colloid |
no |
||
|
int |
|||
I/O compression |
n/a |
sys |
||
adiabatic core/shell model |
coreshell |
no |
||
dielectric boundary solvers and force styles |
|
no |
||
virtual x-ray and electron diffraction |
|
no |
||
point dipole particles |
dipole |
no |
||
basic DPD models |
|
no |
||
mesoscale DPD models |
|
no |
||
reactive dissipative particle dynamics |
|
|
no |
|
smoothed dissipative particle dynamics |
|
|
no |
|
Drude oscillators |
|
no |
||
electron force field |
|
no |
||
electrode charges to match potential |
|
no |
||
additional command styles |
n/a |
no |
||
additional compute styles |
n/a |
no |
||
additional dump styles |
n/a |
no |
||
additional fix styles |
n/a |
no |
||
additional molecular styles |
n/a |
no |
||
additional pair styles |
n/a |
no |
||
free energy perturbation |
|
no |
||
GPU-enabled styles |
int |
|||
granular systems |
pour |
no |
||
dump output via HDF5 |
n/a |
ext |
||
optimized Intel CPU and KNL styles |
no |
|||
Inter-layer pair potentials |
|
no |
||
OpenKIM wrapper |
kim |
ext |
||
Kokkos-enabled styles |
no |
|||
long-range Coulombic solvers |
peptide |
no |
||
Lattice Boltzmann fluid |
|
no |
||
evaluate strings as potential function |
|
int |
||
smoothed Mach dynamics |
|
ext |
||
motion on 2d surfaces |
|
no |
||
many-body potentials |
shear |
no |
||
Monte Carlo options |
n/a |
no |
||
client-server code coupling |
|
ext |
||
modified EAM potential (C++) |
meam |
no |
||
mesoscopic tubular potential model |
pair styles mesocnt |
|
no |
|
fast MGPT multi-ion potentials |
|
no |
||
miscellaneous single-file commands |
n/a |
no |
no |
|
High-dimensional neural network potentials |
|
ext |
||
multiple machine learning potentials |
mliap |
no |
||
Atomic Cluster Expansion potential |
|
ext |
||
Proper orthogonal decomposition potentials |
pod |
ext |
||
QUIP/libatoms interface |
|
ext |
||
Pair style for RANN potentials |
|
no |
||
quantum-fitted potential |
snap |
no |
||
quantum-fitted ultra fast potentials |
|
no |
||
styles for MOF-FF force field |
|
no |
||
molecular system force fields |
peptide |
no |
||
VMD molfile plug-ins |
n/a |
ext |
||
dump output via NetCDF |
n/a |
ext |
||
OpenMP-enabled styles |
no |
|||
optimized pair styles |
no |
|||
fixes for orientation depended forces |
|
no |
||
Peridynamics models |
peri |
no |
||
phonon dynamical matrix |
|
no |
||
Plugin loader command |
plugins |
no |
||
|
ext |
|||
coupled rigid body motion |
rigid |
int |
||
Polyhedral Template Matching |
n/a |
no |
||
embed Python code in an input script |
python |
sys |
||
QEq charge equilibration |
qeq |
no |
||
QM/MM coupling |
|
ext |
||
quantum nuclear effects |
qtb |
no |
||
reproducing hydrodynamics and elastic objects |
rheo |
no |
||
chemical reactions in classical MD |
|
no |
||
ReaxFF potential (C/C++) |
reax |
no |
||
multi-replica methods |
tad |
no |
||
rigid bodies and constraints |
rigid |
no |
||
wrapper for ScaFaCoS Kspace solver |
|
ext |
||
shock loading methods |
n/a |
no |
||
second moment tight binding potentials |
|
no |
||
smoothed particle hydrodynamics |
|
no |
||
magnetic atomic spin dynamics |
SPIN |
no |
||
stochastic rotation dynamics |
srd |
no |
||
pairwise tally computes |
|
no |
||
extensional flow |
|
no |
||
Voronoi tesselation |
n/a |
ext |
||
dump output via VTK |
n/a |
ext |
||
additional styles implemented in YAFF |
|
no |