History of LAMMPS

Return to top-level of LAMMPS documentation.

This is a brief history of features added to each version of LAMMPS.

LAMMPS 99 - June 99

• all-MPI version of code (F77 + C + MPI) for maximum portablility
• only one PPPM choice now, the better of the two earlier ones
• PPPM uses portable FFTs and data remapping routines, written in C w/ MPI, can now use non-power-of-2 processors and grid sizes
• auto-mapping of simulation box to processors
• removed a few unused/unneeded commands (bdump, log file, id string, limit)
• changed syntax of some commands for simplicity & consistency (see input commands)
• changed method of calling/writing user diagnostic routines to be simpler
• documentation in HTML format

Version 5.0 - Oct 1997

• final version of class II force fields
• new formulation of NVE, NVT, NPT and rRESPA integrators
• new version of msi2lmp pre-processing tool, does not require DISCOVER to run, only DISCOVER force field files
• energy minimizer, Hessian-free truncated Newton method
• new pressure controllers and constraints
• replicate tool for generating new data files from old ones

Version 4.0 - March 1997

• 1st version of class II force fields
• new, faster PPPM solver (newpppm)
• rRESPA
• new data file format
• new constraints, diagnostics
• msi2lmp pre-processing tool

Version 3.0 - March 1996

• more general force-field formulation
• atom/group constraints
• LJ units and bond potentials
• smoothed LJ potential option
• Langevin thermostat
• Newton's 3rd law option
• hook for user-supplied diagnostic routines

Version 2.0 - October 1995

• bug fix of velocity initialization which caused drift
• PPPM for long-range Coulombic
• constant NPT

Version 1.1 - February 1995

• Ewald for long-range Coulombic
• full Newton's 3rd law (doubled communication)
• dumping of atom positions and velocities
• restart files

Version 1.0 - January 1995

• short-range bonded and non-bonded forces
• partial Newton's 3rd law
• velocity-Verlet integrator