Previous LAMMPS Items

• (7/08) Addition of particle-based Peridynamics continuum model with new atom_style and force field.
• (5/08) Posted some benchmark numbers for LAMMPS running on a Dell desktop box with dual quad-core Intel Xeon chips.
• (5/08) Release of 21 May 2008 version of LAMMPS. New features include a revamping of how temperatures are computed with bias velocities subtracted and how they work with various thermostats, and a more robust line-search and stopping criteria in energy minimization. New commands added are angle_style cosine/delta, compute group/group, compute reduce, fix temp/berendsen, fix press/berendsen, fix nve/sphere, fix nvt/sphere, fix npt/sphere, compute temp/com, compute temp/sphere, compute erotate/sphere, compute erotate/asphere, fix thermal/conductivity, pair_style lj/gromacs, pair_style lj/gromacs/coul/gromacs, and fix bond/swap. The delete_atoms overlap command was enhanced. Two new tools were added: a lmp2vmd tool for post-processing to VMD format and a directory of Python post-processing scripts. Two USER packages were also added: a USER-CG-CMM package for coarse-grained models and a USER-SMD package for steered MD. See details here.
• (1/08) Release of 22 Jan 2008 version of LAMMPS. New features include revamped LAMMPS output options for thermodynamic and dump output, thermo_style custom and dump custom can now access computes, fixes, and variables directly, new enhanced versions of the fix ave/time, fix ave/spatial, and fix ave/atom commands, per-atom energy and virial tabulations for all pair and many-body potentials and fixes that invoke internal constraints, and a new easier-to-use variable formula syntax. New commands added are fix dt/reset, pair_style lubricate, pair coul/debye, fix coord/original, compute pe/atom, compute stress/atom, compute sum, pair_style resquared, fix viscosity, and compute displace/atom. Deprecated commands are "fix gran/diag", "compute epair/atom", "compute ebond/atom", "compute variable/atom", "compute variable", "compute sum/atom", and "compute attribute/atom". See details here.
• (10/07) Release of 5 Oct 2007 version of LAMMPS. New features include displace_box, change_box, compute ebond/atom, changes to 2d pressure computation, rigid bodies with fix deform, pair_style airebo, fix nve/limit, fix ave/atom, compute attribute/atom, compute sum/atom, user-contributed packages, pair_style hybrid/overlay for superposing pairwise potentials, kspace_style ewald/n for long-range dispersion contributions from 1/r^6 LJ terms, pair_style lj/coul, pair_style buck/coul, compute ackland/atom. See details here.
• (6/07) Release of 22 Jun 2007 version of LAMMPS. New features include static and dynamic non-orthogonal simulation boxes (triclinic symmetry), fix heat, if command, new Finnis/Sinclair EAM potentials, displace_atoms random, new set options, create_atoms single, compute coord/atom, fix ave/time, fix ave/spatial, variable atom, new COLLOID package with pair colloid potential and neighbor and communication options to support it, new DIPOLE package for point-dipole particles with pair dipole/cut, new ASPHERE package for ellipsoidal particles with a GayBerne potential and aspherical particle integrators to support it, NEMD simulations via fix deform and fix nvt/sllod and compute temp/deform, and tools/pymol_asphere for ellipsoidal particles. See details here.
• (3/07) LAMMPS now has support for triclinic (non-orthogonal) simulation boxes. See details here for the 7Mar07 patch. Thanks to Pieter in 't Veld (Sandia) for his efforts to help add this capability.
• (2/07) Release of 12 Feb 2007 version of LAMMPS. New features include Tersoff, Stillinger-Weber, and MEAM (modified EAM) potentials; non-orthogonal lattices; fix wall/lj126; fix deposit; uloop variables; removal of global variables so that LAMMPS can be instantiated multiple times as a library; optimized versions of lj/cut, eam, morse, and lj/charmm/coul/long pair potentials; compute command which now encompasses temperature, pressure, and per-atom calculations; new options for thermo_style custom, dump custom, and variable equal output; and higher-precision real/metal units. See details here.
• (11/06) Enhanced the lattice and create_atoms commands to enable generalized non-orthogonal lattices to be specified and populated with atoms. See details here for the 14Nov06 patch. Note that LAMMPS can still not model non-orthogonal simulation domains, but this a step in that direction.
• (11/06) Added Tersoff and Stillinger-Weber 3-body potentials for semiconductor materials like Si. See details here for the 4Nov06 patch.
• (10/06) Release of 1 Oct 2006 version of LAMMPS. New features include an OPLS dihedral style, shell command, lattice diamond style, new options for the run command, fix gyration, fix recenter, fix momentum, multi-letter variables, group computations for equal-style variables, and LJ tail corrections. See details here, including a notice on how periodic box image flags are now stored differently in restart files which could affect the use of old restart files. See details here.
• (7/06) Release of 17 Jul 2006 version of LAMMPS. New features include fix wall/reflect, fix spring/self, fix spring/rg, an enhanced fix langevin, pair_style lj/smooth, fix orient/fcc, dump dcd, dump xtc, temperature region, thermo_style custom t_ID, bond_style quartic, an enhanced pair_style hybrid, angle_style hybrid, dihedral_style hybrid, improper_style hybrid, delete_atoms overlap, TIP4P water potential, dumping of per atom energy, stress during minimization, and fix poems which hooks to the POEMS library from RPI to simulate the motion of coupled rigid bodies. See details here.
• (4/06) Release of 12 Apr 2006 version of LAMMPS. New features include energy minimization, dissipative particle dynamics (DPD), Finnis/Sinclair EAM, dump options including region and atom-based threshholding, fix uniaxial, and input script flexibility (print, fix print, label, jump, variable options). See details here, including a notice on a couple of commands whose syntax has changed which could affect existing input scripts.
• (1/06) Added benchmark results for Sandia's new Red Storm machine (Cray XT3 with 10K AMD Opterons) to benchmark page.
• (11/05) Release of 7 Nov 2005 version of Pizza.py toolkit which now enables 3d interactive visualization of LAMMPS dump and data files via OpenGL and a VCR-style GUI (see the gl and vcr tools). The OpenGL capability was added to Pizza.py thru the Python PyOpenGL package.
• (11/05) Each time a patch for a bug-fix or new feature is posted on this page, a new LAMMPS tar file is also now available from the download site. This means you can either apply individual patches to your copy or grab a new version of LAMMPS with all upgrades since the last official release.
• (11/05) Release of 10 Nov 2005 version of LAMMPS with new or enhanced versions of these commands: fix efield, fix indent, fix spring, fix nvt, fix npt, fix nph, fix gravity, and region. See details here.
• (10/05) Creation of a LAMMPS mailing list on SourceForge for posting questions about LAMMPS and browsing past questions/answers in the archive. The new SourceForge project page for LAMMPS also allows for downloads of the various LAMMPS packages. Here are instructions on various ways the LAMMPS mailing list can be used.
• (9/05) Release of Pizza.py toolkit which provides setup, analysis, plotting, and visualization support for LAMMPS. The toolkit is written in Python, can easily be extended by users, and is available for download from this page.
• (7/05) Re-designed benchmark page which includes results for several large parallel machines with Intel, DEC Alpha, and IBM processors, including the new LLNL Blue Gene Light system (up to 64K procs and 40 billion atoms).
• (6/05) Release of 3 June 2005 version of LAMMPS with new potentials (class 2 COMPASS, Morse bond, Morse pairwise, Buckingham, Yukawa, tabulated pairwise), support for hybrid systems with multiple atom styles and pair potential styles, radial distribution function computation, and dumping of per-atom energy and stress. See details here.
• (1/05) Release of 17 Jan 2005 version of LAMMPS with centro-symmetry option in dump command, targeted MD, pre-computed tabling for pairwise portion of long-range Coulombic solvers, bond_style hybrid, and generalized set command. See details here.
• (9/04) Initial public release of the C++ version of LAMMPS. This version supercedes earlier versions, including LAMMPS 2001 (F90) and LAMMPS 99 (F77).