LAMMPS: Difference between revisions
Jump to navigation
Jump to search
mNo edit summary |
Carl McBride (talk | contribs) (Started a force fields section) |
||
| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
[http:// | '''LAMMPS''' ('''L'''arge-scale '''A'''tomic/'''M'''olecular '''M'''assively '''P'''arallel '''S'''imulator) <ref>[http://dx.doi.org/10.1006/jcph.1995.1039 Steve Plimpton "Fast Parallel Algorithms for Short-Range Molecular Dynamics", Journal of Computational Physics '''117''' pp. 1-19 (1995)]</ref> has potentials for soft materials ([[Biological systems |biomolecules]], [[polymers]]) and solid-state materials (metals, semiconductors) and [[Coarse graining |coarse-grain systems]]. It can be used to model atoms or, more generically, as a parallel particle simulator at the mesoscale or continuum levels. | ||
LAMMPS runs on single-processor machines or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. | LAMMPS runs on single-processor machines or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. | ||
==Force fields== | |||
LAMMPS can accomodate the following [[force fields]] <ref>[http://lammps.sandia.gov/doc/Section_howto.html#howto_3 Source: LAMMPS Documentation (9 Nov 2013) § 6.3] </ref>: [[CHARMM]], [[AMBER]], and [[DREIDING]]. | |||
==References== | ==References== | ||
<references/> | |||
==External links== | |||
*[http://lammps.sandia.gov/ LAMMPS Home page] | |||
*[http://www.nvidia.com/object/lammps_on_tesla.html LAMMPS on Tesla GPUs] | |||
[[Category: Materials modelling and computer simulation codes]] | [[Category: Materials modelling and computer simulation codes]] | ||
Latest revision as of 11:38, 6 November 2013
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) [1] has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grain systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the mesoscale or continuum levels. LAMMPS runs on single-processor machines or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.
Force fields[edit]
LAMMPS can accomodate the following force fields [2]: CHARMM, AMBER, and DREIDING.