This is a list of user packages in LAMMPS. The link for each package name gives more details.
User packages have been contributed by users, and begin with the "user" prefix. If a contribution is a single command (single file), it is typically in the user-misc package. User packages don't necessarily meet the requirements of the standard packages. This means the developers will try to keep things working and usually can answer technical questions about compiling the package. If you have problems using a specific feature provided in a user package, you may need to contact the contributor directly to get help. Information on how to submit additions you make to LAMMPS as single files or as a standard or user package is explained on the Modify contribute doc page.
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:
Package | Description | Doc page | Example | Library |
USER-ATC | Atom-to-Continuum coupling | fix atc | USER/atc | int |
USER-AWPMD | wave packet MD | pair_style awpmd/cut | USER/awpmd | int |
USER-BOCS | BOCS bottom up coarse graining | fix bocs | USER/bocs | no |
USER-CGDNA | coarse-grained DNA force fields | src/USER-CGDNA/README | USER/cgdna | no |
USER-CGSDK | SDK coarse-graining model | pair_style lj/sdk | USER/cgsdk | no |
USER-COLVARS | collective variables library | fix colvars | USER/colvars | int |
USER-DIFFRACTION | virtual x-ray and electron diffraction | compute xrd | USER/diffraction | no |
USER-DPD | reactive dissipative particle dynamics | src/USER-DPD/README | USER/dpd | no |
USER-DRUDE | Drude oscillators | Howto drude | USER/drude | no |
USER-EFF | electron force field | pair_style eff/cut | USER/eff | no |
USER-FEP | free energy perturbation | compute fep | USER/fep | no |
USER-H5MD | dump output via HDF5 | dump h5md | n/a | ext |
USER-INTEL | optimized Intel CPU and KNL styles | Speed intel | Benchmarks | no |
USER-LB | Lattice Boltzmann fluid | fix lb/fluid | USER/lb | no |
USER-MANIFOLD | motion on 2d surfaces | fix manifoldforce | USER/manifold | no |
USER-MEAMC | modified EAM potential (C++) | pair_style meam/c | meam | no |
USER-MESO | mesoscale DPD models | pair_style edpd | USER/meso | no |
USER-MGPT | fast MGPT multi-ion potentials | pair_style mgpt | USER/mgpt | no |
USER-MISC | single-file contributions | USER-MISC/README | USER/misc | no |
USER-MOFFF | styles for MOF-FF force field | pair_style buck6d/coul/gauss | USER/mofff | no |
USER-MOLFILE | VMD molfile plug-ins | dump molfile | n/a | ext |
USER-NETCDF | dump output via NetCDF | dump netcdf | n/a | ext |
USER-OMP | OpenMP-enabled styles | Speed omp | Benchmarks | no |
USER-PHONON | phonon dynamical matrix | fix phonon | USER/phonon | no |
USER-PLUMED | PLUMED free energy library | fix plumed | USER/plumed | ext |
USER-PTM | Polyhedral Template Matching | compute ptm/atom | n/a | no |
USER-QMMM | QM/MM coupling | fix qmmm | USER/qmmm | ext |
USER-QTB | quantum nuclear effects | fix qtb fix qbmsst | qtb | no |
USER-QUIP | QUIP/libatoms interface | pair_style quip | USER/quip | ext |
USER-REAXC | ReaxFF potential (C/C++) | pair_style reaxc | reax | no |
USER-SCAFACOS | wrapper on ScaFaCoS solver | kspace_style scafacos | USER/scafacos | ext |
USER-SDPD | smoothed dissipative particle dynamics | pair_style sdpd/taitwater/isothermal | USER/sdpd | no |
USER-SMD | smoothed Mach dynamics | SMD User Guide | USER/smd | ext |
USER-SMTBQ | second moment tight binding QEq potential | pair_style smtbq | USER/smtbq | no |
USER-SPH | smoothed particle hydrodynamics | SPH User Guide | USER/sph | no |
USER-TALLY | pairwise tally computes | compute XXX/tally | USER/tally | no |
USER-UEF | extensional flow | fix nvt/uef | USER/uef | no |
USER-VTK | dump output via VTK | compute vtk | n/a | ext |