This page lists new features and bug fixes in the LAMMPS molecular dynamics package since the most recent major release was made. See the unfixed bug page for info on as-yet unresolved bugs.
To add these features/fixes to your version of LAMMPS, you have 2 choices. You can download the current tarball from the download page which includes all the new features/fixes listed below, and re-build LAMMPS from scratch. Or you can apply individual patch files to your copy of LAMMPS and do an incremental re-build, as described below. Note that for the latter, you must apply all patches in chronological order, starting from the date of your copy of LAMMPS, to stay up-to-date.
The last major release of LAMMPS was the 9 Jan 2009 version.
IMPORTANT NOTE: If you browse the LAMMPS HTML doc pages from the LAMMPS WWW site, then they describe the most current, fully-patched version of LAMMPS, which has changed after the date listed above. These additions are described on this page. If you browse the HTML doc pages from the doc directory of the tarball you downloaded, then they will describe that tarball, whether it was the original version for the date listed above, or an upgraded tarball including features up to the date you downloaded it, again as described on this page. When the tarball unpacks, it will contain the date that corresponds to which version you downloaded. The PDF file included in the doc directory is not regenerated for every patch, so it always corresponds to the original version with the date listed above.
Applying patches:
patch -bp1 < patch.12Dec04
Additional notes:
New release of LAMMPS (C++ version). 148,035 lines of code in src dir with all packages included (but no library source files).
IMPORTANT: The output format of dump files in the native LAMMPS format has changed slightly. The BOX BOUNDS field adds "xy xz yz" for triclinic boxes which quantities are appended to the following 3 lines of lo/hi box bounds. The ATOMS field adds per-atom column descriptors such as "id type x y z". These are so the dump file is self-describing and can be more easily post-processed.
These are the most significant features added or enhanced since the 9 Jan 2009 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 138,720 lines of code in src dir with all packages included (but no library source files).
IMPORTANT: The syntax of the following commands has changed: pair_style gran/hooke, pair_style gran/hooke/history, pair_style gran/hertz/history, and special_bonds. The keyword "tag" in the dump custom command has been changed to "id". The default for specifying layer thicknesses in the fix ave/spatial command has been changed from box units to lattice units.
These are the most significant features added or enhanced since the 21 May 2008 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 133,864 lines of code in src dir with all packages included (but no library source files).
IMPORTANT: For 2d problems using extended spherical particles (as opposed to point particles), such as granular or colloidal particles, the particles are now treated as 3d spheres moving in a 2d space. As opposed to 2d circular disks moving in a 2d space. This is simply a change in their moment of inertia, but will affect their dynamics when rotating due to an applied torque. Likewise it affects their temperature.
IMPORTANT: For 2d problems, the default for subtracting the system center-of-mass degrees-of-freedom when computing temperature was changed from 3 dof to 2 dof (for the entire system). This means you might see a slight change in reported temperature and subsequent dynamoics in a 2d simulation.
These are the most significant features added or enhanced since the 22 Jan 2008 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 125,009 lines of code in src dir with all packages included (but no library source files).
IMPORTANT: Velocity initialization via the velocity command using the loop geom option now uses a new random number generation scheme, as do certain options of the set and displace_atoms commands. Hence an input script using these commands will initialize a system differently (i.e. statistically the same, but with a different set of random velocities). The following commands are deleted in this version, since they have been replaced by more general output options: "fix gran/diag", "compute epair/atom", "compute ebond/atom", "compute variable/atom", "compute variable", "compute sum/atom", and "compute attribute/atom".
These are the most significant features added or enhanced since the 5 Oct 2007 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 118,521 lines of code in src dir with all packages included (but no library source files).
IMPORTANT: The syntax of the fix ave/spatial, fix ave/time, and fix gravity commands has changed. The "compute etotal/atom" command was deleted and replaced by the more general compute sum/atom command. Some keywords for the dump custom command have been removed: epair, ke, etotal, centro, stress. These are now invoked by creating a compute of the appropriate style and referencing it in the dump custom command.
These are the most significant features added since the 22 Jun 2007 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 106,005 lines of code in src dir (with all packages included).
IMPORTANT: The format of restart files was changed to make it easier to add new atom info in the future. Thus this version will not read restart files created by older versions. For hybrid atom styles, the format of atom lines in input data files was changed. The syntax of the create_atoms command was changed. The fix volume/rescale and fix uniaxial commands were deleted since their functionality is now present in the fix deform command.
These are the most significant features added since the 12 Feb 2007 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 95,029 lines of code in src dir (with all packages included).
IMPORTANT: The temperature command was replaced by the compute command in this release, which is now a more flexible way to define global calculations (temp, pressure, etc) and per-atom calculations (energy, stress, etc) which can be output as thermodynamic and dump info or be accessed by input script variables.
There were also minor changes in the hi-level code structure to make LAMMPS more library-friendly.
These are the most significant features added since the 1 Oct 2006 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 85,559 lines of code in src dir (with all packages included).
IMPORTANT: The storage of periodic box image flags in restart files changed with this release. The current version will still read old restart files, but the values of the image flags will be wrong if you use them in a computation or subsequently output them (e.g. in a dump file).
There were also changes in the hi-level code structure and in pair style routines. These were for the purpose of making LAMMPS more library friendly and in anticipation of new many-body potentials we hope to release soon (Stillinger-Weber, Tersoff, REBO, etc).
These are the most significant features added since the 17 Jul 2006 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 82,729 lines of code in src dir (with all packages included).
These are the most significant features added since the 12 Apr 2006 version. People who contributed to the features are listed in parentheses:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 74,353 lines of code in src dir (with all packages included).
IMPORTANT: The syntax of these commands were changed. If you use these commands, you will need to modify your existing input scripts:
These are the most significant features added since the 10 Nov 2005 version. People who contributed to the features are listed in parentheses:
Though previously advertised, TIP4P pairwise potentials and a bond_style restrain potential are not part of this release. They will be added as patches in the near future.
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 68,545 lines of code in src dir (with all packages included).
These are the most significant features added since the 3 Jun 2005 version:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 66,806 lines of code in src dir (with all packages included).
The format of binary restart files changed with this version, due to hybrid atom and pair styles and the changes to enable very large simulations. Hence this version will NOT read older version's restart files.
Also, starting with this version, a build of LAMMPS will NOT include all optional packages by default. In particular the "granular" and "class2" packages will not be included unless you request them. See the Making LAMMPS section of the documentation for more details or type "make package" when building LAMMPS to see the options.
These are the most significant features added since the 17 Jan 2005 version:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
New release of LAMMPS (C++ version). 56,612 lines of code in src dir (with all packages included). These are the most significant features added since the 1 Sept 2004 version:
Descriptions of all these enhancements and other bug fixes can be viewed on this page.
There is also a new release of LAMMPS 2001 (F90 version), which contains a few minor tweaks and bug fixes. These are included in the 2001 tar file now available from the download page.
1 Sept 2004
Initial public release of the C++ version of LAMMPS. 52,967 lines of code in src dir. This version supersedes earlier versions, including LAMMPS 2001 (F90) and LAMMPS 99 (F77).