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 “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; PACKAGES/atc refers to the examples/PACKAGES/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 |
---|---|---|---|---|
dump output via ADIOS |
PACKAGES/adios |
ext |
||
aspherical particle models |
ellipse |
no |
||
Atom-to-Continuum coupling |
PACKAGES/atc |
int |
||
wave packet MD |
PACKAGES/awpmd |
int |
||
BOCS bottom up coarse graining |
PACKAGES/bocs |
no |
||
body-style particles |
body |
no |
||
Brownian dynamics, self-propelled particles |
PACKAGES/brownian |
no |
||
coarse-grained DNA force fields |
src/CG-DNA/README |
PACKAGES/cgdna |
no |
|
SDK coarse-graining model |
PACKAGES/cgsdk |
no |
||
class 2 force fields |
n/a |
no |
||
colloidal particles |
colloid |
no |
||
collective variables library |
PACKAGES/colvars |
int |
||
I/O compression |
n/a |
sys |
||
adiabatic core/shell model |
coreshell |
no |
||
dielectric boundary solvers and force styles |
PACKAGES/dielectric |
no |
||
virtual x-ray and electron diffraction |
PACKAGES/diffraction |
no |
||
point dipole particles |
dipole |
no |
||
basic DPD models |
PACKAGES/dpd-basic |
no |
||
mesoscale DPD models |
PACKAGES/dpd-meso |
no |
||
reactive dissipative particle dynamics |
src/DPD-REACT/README |
PACKAGES/dpd-react |
no |
|
smoothed dissipative particle dynamics |
src/DPD-SMOOTH/README |
PACKAGES/dpd-smooth |
no |
|
Drude oscillators |
PACKAGES/drude |
no |
||
electron force field |
PACKAGES/eff |
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 |
PACKAGES/fep |
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 |
PACKAGES/interlayer |
no |
||
OpenKIM wrapper |
kim |
ext |
||
Kokkos-enabled styles |
no |
|||
long-range Coulombic solvers |
peptide |
no |
||
Lattice Boltzmann fluid |
PACKAGES/latboltz |
no |
||
quantum DFTB forces via LATTE |
latte |
ext |
||
smoothed Mach dynamics |
PACKAGES/machdyn |
ext |
||
motion on 2d surfaces |
PACKAGES/manifold |
no |
||
many-body potentials |
shear |
no |
||
Monte Carlo options |
n/a |
no |
||
client-server coupling |
PACKAGES/mdi |
ext |
||
modified EAM potential (C++) |
meam |
no |
||
mesoscopic tubular potential model |
pair styles mesont/tpm, mesocnt |
PACKAGES/mesont |
int |
|
client/server messaging |
message |
int |
||
fast MGPT multi-ion potentials |
PACKAGES/mgpt |
no |
||
miscellaneous single-file commands |
n/a |
no |
no |
|
High-dimensional neural network potentials |
PACKAGES/hdnnp |
ext |
||
multiple machine learning potentials |
mliap |
no |
||
Atomic Cluster Expansion potential |
PACKAGES/pace |
ext |
||
QUIP/libatoms interface |
PACKAGES/quip |
ext |
||
Pair style for RANN potentials |
PACKAGES/rann |
no |
||
quantum-fitted potential |
snap |
no |
||
styles for MOF-FF force field |
PACKAGES/mofff |
no |
||
molecular system force fields |
peptide |
no |
||
VMD molfile plug-ins |
n/a |
ext |
||
MPI parallel I/O dump and restart |
n/a |
no |
||
multi-scale coarse-graining wrapper |
mscg |
ext |
||
dump output via NetCDF |
n/a |
ext |
||
OpenMP-enabled styles |
no |
|||
optimized pair styles |
no |
|||
fixes for orientation depended forces |
PACKAGES/orient_eco |
no |
||
Peridynamics models |
peri |
no |
||
phonon dynamical matrix |
PACKAGES/phonon |
no |
||
Plugin loader command |
plugins |
no |
||
PLUMED free energy library |
PACKAGES/plumed |
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 |
PACKAGES/qmmm |
ext |
||
quantum nuclear effects |
qtb |
no |
||
chemical reactions in classical MD |
PACKAGES/reaction |
no |
||
ReaxFF potential (C/C++) |
reax |
no |
||
multi-replica methods |
tad |
no |
||
rigid bodies and constraints |
rigid |
no |
||
wrapper for ScaFaCoS Kspace solver |
PACKAGES/scafacos |
ext |
||
shock loading methods |
n/a |
no |
||
second moment tight binding potential |
PACKAGES/smtbq |
no |
||
smoothed particle hydrodynamics |
PACKAGES/sph |
no |
||
magnetic atomic spin dynamics |
SPIN |
no |
||
stochastic rotation dynamics |
srd |
no |
||
pairwise tally computes |
PACKAGES/tally |
no |
||
extensional flow |
PACKAGES/uef |
no |
||
Voronoi tesselation |
n/a |
ext |
||
dump output via VTK |
n/a |
ext |
||
additional styles implemented in YAFF |
PACKAGES/yaff |
no |