| LAMMPS at a glance
LAMMPS is a classical molecular dynamics code that models an ensemble of particles in a liquid, solid, or gaseous state. It can model atomic, polymeric, biological, metallic, or granular systems using a variety of force fields and boundary conditions. LAMMPS runs efficiently on single-processor desktop or laptop machines, but is also designed for parallel computers, hence it can model systems with only a few particles up to millions or billions. LAMMPS can be easily extended for the use of new force fields, analysis capabilities and other functionality. LAMMPS was originally developed under a US Department of Energy CRADA (Cooperative Research and Development Agreement) between two DOE labs and 3 companies. It is distributed by Sandia National Labs. In the most general sense, LAMMPS integrates Newton's equations of motion for collections of atoms, molecules, or macroscopic particles that interact via short- or long range forces with a variety of initial and/or boundary conditions. Force Fields supported include Amber, CHARMM, Dreiding, Embedded Atom Method based Force Fields and Class2 Force Fields (including cross terms). On parallel machines, LAMMPS uses spatial-decomposition techniques to partition the simulation domain into small 3D sub-domains, one of which is assigned to each processor
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LAMMPS in MAPS®
The Materials and Processes Simulations (MAPS®) platform is a user friendly environment for molecular modeling and simulations. Its plug-in based architecture enables scientists to use the best technology for a given problem. The MAPS® platform runs on Linux and Windows® XP operating systems. MAPS® includes a series of tools enabling the construction of molecular systems, finite and periodic, 3D visualization and other utilities. The LAMMPS user can quickly create a molecular model, using standard sketching tools or MAPS®' polymers builder, and set up calculations using the LAMMPS graphical user interface which gives access to many of LAMMPS advanced capabilities. Analysis tools and graphs available in MAPS® enable an easy representation of LAMMPS results. MAPS®' native client-server architecture allows to use the best computational resources available and run LAMMPS simulations on numerous operating systems. Finally, efficient interaction with office productivity software allows to produce quickly presentations and reports
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