This section lists features we plan to add to LAMMPS, features of previous versions of LAMMPS, and features of other parallel molecular dynamics codes our group has distributed.
13.1 Coming attractionsThe Wish list link on the LAMMPS WWW page gives a list of features we are hoping to add to LAMMPS in the future, including contact names of individuals you can email if you are interested in contributing to the developement or would be a future user of that feature.
You can also send email to the developers if you want to add your wish to the list.
LAMMPS development began in the mid 1990s under a cooperative research & development agreement (CRADA) between two DOE labs (Sandia and LLNL) and 3 companies (Cray, Bristol Myers Squibb, and Dupont). The goal was to develop a large-scale parallel classical MD code; the coding effort was led by Steve Plimpton at Sandia.
After the CRADA ended, a final F77 version, LAMMPS 99, was released. As development of LAMMPS continued at Sandia, its memory management was converted to F90; a final F90 version was released as LAMMPS 2001.
The current LAMMPS is a rewrite in C++ and was first publicly released as an open source code in 2004. It includes many new features beyond those in LAMMPS 99 or 2001. It also includes features from older parallel MD codes written at Sandia, namely ParaDyn, Warp, and GranFlow (see below).
In late 2006 we began merging new capabilities into LAMMPS that were developed by Aidan Thompson at Sandia for his MD code GRASP, which has a parallel framework similar to LAMMPS. Most notably, these have included many-body potentials - Stillinger-Weber, Tersoff, ReaxFF - and the associated charge-equilibration routines needed for ReaxFF.
The History link on the LAMMPS WWW page gives a timeline of features added to the C++ open-source version of LAMMPS over the last several years.
These older codes are available for download from the LAMMPS WWW site, except for Warp & GranFlow which were primarily used internally. A brief listing of their features is given here.
LAMMPS 2001
LAMMPS 99
Warp
ParaDyn
GranFlow