## 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