LAMMPS WWW Site
Wish list for LAMMPS
These are new features we'd like to eventually add to LAMMPS. Some
are being actively worked on; some are not due to lack of time,
funding, or interested users; others we're not sure how to even tackle
at this point.
Some of the features list a contact person. Feel free to send them an
email if you are interested in the feature as a co-developer or future
You can contact the core developers regarding features
without a contact name, or to add your wish to the list.
- Enhanced granular models (Christoph Kloss, JKU, Christoph.Kloss at
- Christoph has developed the add-on LIGGGHTS
package which extends the
granular capabilities in LAMMPS in a variety of ways. We're working
to more tightly integrate LAMMPS with LIGGGHTS and considereing what
new features to add in the future. A small working group on this
topic has formed, so please join if you are interested in using LAMMPS
for granular materials modeling.
- Coupling to finite elements for stress-strain (Reese Jones, Sandia,
rjones at sandia.gov)
- The group at Sandia who wrote and released the atom-to-continuum
USER-ATC package for coupling LAMMPS to a
finite-element solver for thermal problems is also working on
extending the finite-element portion of the package so LAMMPS could be
coupled to a continuum stress/strain deformation solver or other kinds
of PDE continuum effects.
- MGPT potential (Jaime Marian, LLNL, marian1 at llnl.gov)
- These are potentials originally developed by John Moriarty at LLNL.
- Long-range point-dipole solver, (Mark Stevens, Sandia, msteve at
- LAMMPS has an Ewald-based long-range dipole solver, but not a more
efficient PPPM version.
- Direct Simulation Monte Carlo - DSMC, (Paul Crozier, Sandia, pscrozi
- DSMC is a discrete low-density fluid model, which can be computed in a
MD-like style. LAMMPS has an initial pair_dsmc
pair style, which computes the basic rules for DSMC collisions. But
many more DSMC options, such as boundary conditions and surface
models, could be added to the code.