# 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 -------------------------------------- -------------------------------------------------------------------------------- ------------------------------------------------------------------ --------------------------------------------------- ----- [ADIOS](PKG-ADIOS) dump output via ADIOS [dump adios](dump_adios) PACKAGES/adios ext [AMOEBA](PKG-AMOEBA) AMOEBA and HIPPO force fields [AMOEBA and HIPPO howto](Howto_amoeba) amoeba no [ASPHERE](PKG-ASPHERE) aspherical particle models [Howto spherical](Howto_spherical) ellipse no [ATC](PKG-ATC) Atom-to-Continuum coupling [fix atc](fix_atc) PACKAGES/atc int [AWPMD](PKG-AWPMD) wave packet MD [pair_style awpmd/cut](pair_awpmd) PACKAGES/awpmd int [BOCS](PKG-BOCS) BOCS bottom up coarse graining [fix bocs](fix_bocs) PACKAGES/bocs no [BODY](PKG-BODY) body-style particles [Howto body](Howto_body) body no [BPM](PKG-BPM) bonded particle models [Howto bpm](Howto_bpm) bpm no [BROWNIAN](PKG-BROWNIAN) Brownian dynamics, self-propelled particles [fix brownian](fix_brownian), [fix propel/self](fix_propel_self) PACKAGES/brownian no [CG-DNA](PKG-CG-DNA) coarse-grained DNA force fields src/CG-DNA/README PACKAGES/cgdna no [CG-SPICA](PKG-CG-SPICA) SPICA (SDK) coarse-graining model [pair_style lj/spica](pair_spica) PACKAGES/cgspica no [CLASS2](PKG-CLASS2) class 2 force fields [pair_style lj/class2](pair_class2) n/a no [COLLOID](PKG-COLLOID) colloidal particles [atom_style colloid](atom_style) colloid no [COLVARS](PKG-COLVARS) [Colvars collective variables library](https://colvars.github.io/)\_ [fix colvars](fix_colvars) PACKAGES/colvars int [COMPRESS](PKG-COMPRESS) I/O compression [dump \*/gz](dump) n/a sys [CORESHELL](PKG-CORESHELL) adiabatic core/shell model [Howto coreshell](Howto_coreshell) coreshell no [DIELECTRIC](PKG-DIELECTRIC) dielectric boundary solvers and force styles [compute efield/atom](compute_efield_atom) PACKAGES/dielectric no [DIFFRACTION](PKG-DIFFRACTION) virtual x-ray and electron diffraction [compute xrd](compute_xrd) PACKAGES/diffraction no [DIPOLE](PKG-DIPOLE) point dipole particles [pair_style lj/\.../dipole](pair_dipole) dipole no [DPD-BASIC](PKG-DPD-BASIC) basic DPD models [pair_styles dpd](pair_dpd) [dpd/ext](pair_dpd_ext) PACKAGES/dpd-basic no [DPD-MESO](PKG-DPD-MESO) mesoscale DPD models [pair_style edpd](pair_mesodpd) PACKAGES/dpd-meso no [DPD-REACT](PKG-DPD-REACT) reactive dissipative particle dynamics src/DPD-REACT/README PACKAGES/dpd-react no [DPD-SMOOTH](PKG-DPD-SMOOTH) smoothed dissipative particle dynamics src/DPD-SMOOTH/README PACKAGES/dpd-smooth no [DRUDE](PKG-DRUDE) Drude oscillators [Howto drude](Howto_drude) PACKAGES/drude no [EFF](PKG-EFF) electron force field [pair_style eff/cut](pair_eff) PACKAGES/eff no [ELECTRODE](PKG-ELECTRODE) electrode charges to match potential [fix electrode/conp](fix_electrode) PACKAGES/electrode no [EXTRA-COMPUTE](PKG-EXTRA-COMPUTE) additional compute styles [compute](compute) n/a no [EXTRA-DUMP](PKG-EXTRA-DUMP) additional dump styles [dump](dump) n/a no [EXTRA-FIX](PKG-EXTRA-FIX) additional fix styles [fix](fix) n/a no [EXTRA-MOLECULE](PKG-EXTRA-MOLECULE) additional molecular styles [molecular styles](Commands_bond) n/a no [EXTRA-PAIR](PKG-EXTRA-PAIR) additional pair styles [pair_style](pair_style) n/a no [FEP](PKG-FEP) free energy perturbation [compute fep](compute_fep) PACKAGES/fep no [GPU](PKG-GPU) GPU-enabled styles [Section gpu](Speed_gpu) [Benchmarks](https://www.lammps.org/bench.html)\_ int [GRANULAR](PKG-GRANULAR) granular systems [Howto granular](Howto_granular) pour no [H5MD](PKG-H5MD) dump output via HDF5 [dump h5md](dump_h5md) n/a ext [INTEL](PKG-INTEL) optimized Intel CPU and KNL styles [Speed intel](Speed_intel) [Benchmarks](https://www.lammps.org/bench.html)\_ no [INTERLAYER](PKG-INTERLAYER) Inter-layer pair potentials [several pair styles](Commands_pair) PACKAGES/interlayer no [KIM](PKG-KIM) OpenKIM wrapper [pair_style kim](pair_kim) kim ext [KOKKOS](PKG-KOKKOS) Kokkos-enabled styles [Speed kokkos](Speed_kokkos) [Benchmarks](https://www.lammps.org/bench.html)\_ no [KSPACE](PKG-KSPACE) long-range Coulombic solvers [kspace_style](kspace_style) peptide no [LATBOLTZ](PKG-LATBOLTZ) Lattice Boltzmann fluid [fix lb/fluid](fix_lb_fluid) PACKAGES/latboltz no [LEPTON](PKG-LEPTON) evaluate strings as potential function [pair_style lepton](pair_lepton) PACKAGES/lepton int [MACHDYN](PKG-MACHDYN) smoothed Mach dynamics [SMD User Guide](PDF/MACHDYN_LAMMPS_userguide.pdf)\_ PACKAGES/machdyn ext [MANIFOLD](PKG-MANIFOLD) motion on 2d surfaces [fix manifoldforce](fix_manifoldforce) PACKAGES/manifold no [MANYBODY](PKG-MANYBODY) many-body potentials [pair_style tersoff](pair_tersoff) shear no [MC](PKG-MC) Monte Carlo options [fix gcmc](fix_gcmc) n/a no [MDI](PKG-MDI) client-server code coupling [MDI Howto](Howto_mdi) PACKAGES/mdi ext [MEAM](PKG-MEAM) modified EAM potential (C++) [pair_style meam](pair_meam) meam no [MESONT](PKG-MESONT) mesoscopic tubular potential model pair styles [mesocnt](pair_mesocnt) PACKAGES/mesont no [MGPT](PKG-MGPT) fast MGPT multi-ion potentials [pair_style mgpt](pair_mgpt) PACKAGES/mgpt no [MISC](PKG-MISC) miscellaneous single-file commands n/a no no [ML-HDNNP](PKG-ML-HDNNP) High-dimensional neural network potentials [pair_style hdnnp](pair_hdnnp) PACKAGES/hdnnp ext [ML-IAP](PKG-ML-IAP) multiple machine learning potentials [pair_style mliap](pair_mliap) mliap no [ML-PACE](PKG-ML-PACE) Atomic Cluster Expansion potential [pair pace](pair_pace) PACKAGES/pace ext [ML-POD](PKG-ML-POD) Proper orthogonal decomposition potentials [pair pod](pair_pod) pod ext [ML-QUIP](PKG-ML-QUIP) QUIP/libatoms interface [pair_style quip](pair_quip) PACKAGES/quip ext [ML-RANN](PKG-ML-RANN) Pair style for RANN potentials [pair rann](pair_rann) PACKAGES/rann no [ML-SNAP](PKG-ML-SNAP) quantum-fitted potential [pair_style snap](pair_snap) snap no [MOFFF](PKG-MOFFF) styles for [MOF-FF](https://www.mofplus.org/content/show/MOF-FF)\_ force field [pair_style buck6d/coul/gauss](pair_buck6d_coul_gauss) PACKAGES/mofff no [MOLECULE](PKG-MOLECULE) molecular system force fields [Howto bioFF](Howto_bioFF) peptide no [MOLFILE](PKG-MOLFILE) [VMD](https://www.ks.uiuc.edu/Research/vmd/)\_ molfile plug-ins [dump molfile](dump_molfile) n/a ext [MPIIO](PKG-MPIIO) MPI parallel I/O dump and restart [dump](dump) n/a no [MSCG](PKG-MSCG) multi-scale coarse-graining wrapper [fix mscg](fix_mscg) mscg ext [NETCDF](PKG-NETCDF) dump output via NetCDF [dump netcdf](dump_netcdf) n/a ext [OPENMP](PKG-OPENMP) OpenMP-enabled styles [Speed omp](Speed_omp) [Benchmarks](https://www.lammps.org/bench.html)\_ no [OPT](PKG-OPT) optimized pair styles [Speed opt](Speed_opt) [Benchmarks](https://www.lammps.org/bench.html)\_ no [ORIENT](PKG-ORIENT) fixes for orientation depended forces [fix orient/\*](fix_orient) PACKAGES/orient_eco no [PERI](PKG-PERI) Peridynamics models [pair_style peri](pair_peri) peri no [PHONON](PKG-PHONON) phonon dynamical matrix [fix phonon](fix_phonon) PACKAGES/phonon no [PLUGIN](PKG-PLUGIN) Plugin loader command [plugin](plugin) plugins no [PLUMED](PKG-PLUMED) [PLUMED free energy library](https://www.plumed.org)\_ [fix plumed](fix_plumed) PACKAGES/plumed ext [POEMS](PKG-POEMS) coupled rigid body motion [fix poems](fix_poems) rigid int [PTM](PKG-PTM) Polyhedral Template Matching [compute ptm/atom](compute_ptm_atom) n/a no [PYTHON](PKG-PYTHON) embed Python code in an input script [python](python) python sys [QEQ](PKG-QEQ) QEq charge equilibration [fix qeq](fix_qeq) qeq no [QMMM](PKG-QMMM) QM/MM coupling [fix qmmm](fix_qmmm) PACKAGES/qmmm ext [QTB](PKG-QTB) quantum nuclear effects [fix qtb](fix_qtb) [fix qbmsst](fix_qbmsst) qtb no [REACTION](PKG-REACTION) chemical reactions in classical MD [fix bond/react](fix_bond_react) PACKAGES/reaction no [REAXFF](PKG-REAXFF) ReaxFF potential (C/C++) [pair_style reaxff](pair_reaxff) reax no [REPLICA](PKG-REPLICA) multi-replica methods [Howto replica](Howto_replica) tad no [RIGID](PKG-RIGID) rigid bodies and constraints [fix rigid](fix_rigid) rigid no [SCAFACOS](PKG-SCAFACOS) wrapper for ScaFaCoS Kspace solver [kspace_style scafacos](kspace_style) PACKAGES/scafacos ext [SHOCK](PKG-SHOCK) shock loading methods [fix msst](fix_msst) n/a no [SMTBQ](PKG-SMTBQ) second moment tight binding potentials pair styles [smtbq](pair_smtbq), [smatb](pair_smatb) PACKAGES/smtbq no [SPH](PKG-SPH) smoothed particle hydrodynamics [SPH User Guide](PDF/SPH_LAMMPS_userguide.pdf)\_ PACKAGES/sph no [SPIN](PKG-SPIN) magnetic atomic spin dynamics [Howto spins](Howto_spins) SPIN no [SRD](PKG-SRD) stochastic rotation dynamics [fix srd](fix_srd) srd no [TALLY](PKG-TALLY) pairwise tally computes [compute XXX/tally](compute_tally) PACKAGES/tally no [UEF](PKG-UEF) extensional flow [fix nvt/uef](fix_nh_uef) PACKAGES/uef no [VORONOI](PKG-VORONOI) Voronoi tesselation [compute voronoi/atom](compute_voronoi_atom) n/a ext [VTK](PKG-VTK) dump output via VTK [compute vtk](dump_vtk) n/a ext [YAFF](PKG-YAFF) additional styles implemented in YAFF [angle_style cross](angle_cross) PACKAGES/yaff no