Some folks have developed their own set of LAMMPS add-ons, bundled together as one or more packages, which they maintain and distribute themselves from their own WWW sites. If you have already downloaded and installed LAMMPS, then you can go these WWW sites to download the additional files and add them to LAMMPS. These sites also have the documentation, examples, and additional support for using the add-on capabilities.
Speaking for the LAMMPS developers, we think this is great, and are happy to "advertise" other group's packages here, so that people can try them out. Send us an email if you want to add your package to the list.
Author: Paul Atzberger (UCSB), (atzberg at gmail.com)
SELM stands for Stochastic Eulerian Lagrangian Method. This is a set of numerical methods that utilizes a mixed Eulerian description for hydrodynamic fields coupled to a Lagrangian description of the coarse-grained degrees of freedom. To account for both hydrodynamic flow and thermal fluctuations, fluctuating hydrodynamic equations are introduced and coupled to the coarse-grained degrees of freedom in a manner consistent with statistical mechanics. For implicit-solvent coarse-grained models, the methods can be used to account for momentum transfer through the missing solvent degrees of freedom. The methods provide alternative thermostats to the widely used Langevin thermostat and Dissipative-Particle-Dynamics thermostat.
SELM is provided as a USER-SELM package for LAMMPS, which implements several fluctuating hydrodynamics thermostats for different physical regimes:
A complete list of features, downloads, and tutorials can be found on the package homepage: http://mango-selm.org.
Please feel free to register and download MANGO-SELM from our website. For questions or suggestions, please use the listed MANGO-SELM discussion forums.
Author: Mario Orsi (orsimario at gmail.com)
ELBA-LAMMPS is a toolkit that assists LAMMPS users in simulating the ELBA coarse-grain model, as described in Orsi & Essex, PLoS One 6: e28637 (2011) and illustrated in the following figure. The ELBA-LAMMPS package includes specific installation guidelines, simulation examples, analysis scripts, and tools to enable visualization with VMD.
ELBA coarse-grain model of a DOPC phospholipid (left) and a water molecule (right). Coarse-grain electrostatics are represented by positive ("+" sign) and negative ("-" sign) point charges, and point dipoles (arrows). Click on image to view larger version.
Author: Christoph Kloss (JKU)
LIGGGHTS stands for LAMMPS Improved for General Granular and Granular Heat Transfer Simulations. As this name implies, it is based on the Open Source MD code LAMMPS. LAMMPS is a widely used, well documented, high performance simulator written by Steve Plimpton, Paul Crozier, Aidan Thompson and others at Sandia National Laboratories, Albuquerque, US (http://lammps.sandia.gov). LAMMPS also offers a "GRANULAR" package for DEM simulations.
LIGGGHTS now brings these DEM features to a new level. The following features have been implemented on top of the LAMMPS "GRANULAR" features:
More features, such as improved handling for non-spherical particle, a 6 degrees of freedom solver for arbitrarily shaped bodies and wall stress analysis, are currently under development. Also, an efficient parallel coupling to the OpenFOAM(R) framework is under development.
LIGGGHTS will stay "backward compatible" to LAMMPS, meaning in can use all powerful LAMMPS features.
For a complete list of features, videos, as well as downloads and tutorials, please refer to www.liggghts.com/www.cfdem.com .
If you are interested in learning more about DEM with LIGGGHTS, there will be 2 classes (each for 3 days) held in the city of Linz, Austria. They are scheduled for June 9-11 and September 22-24. If you are interested in joining one of the classes, please answer to this email.
Feel free to register for free and download LIGGGHTS 1.0 from our website. For any question that may arise, please use the provided discussions forums.
Author: Axel Kohlmeyer (Temple U)
This is an experimental version of LAMMPS with additional features made available for testing before they will be submitted for inclusion into the official LAMMPS tree. The source code is based on the developer svn mirror and kept up-to-date as much as possible.
Authors: see PLUMED WWW site
PLUMED is a plugin for free-energy calculations in molecular systems that can be interfaced with some of the most popular molecular dynamics codes using a simple patching procedure.
PLUMED allows one to perform several type of calculations, including:
In this NEW release:
Authors: see VOTCA WWW site
VOTCA is a set of tools for creating corase-grained models, as well as simulating charge transport, and has other features as well.
Here is a summary of the methods in the coarse-graining toolkit (VOTCA-CSG):
It has support for processing LAMMPS dump files.