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[http://www.itap.physik.uni-stuttgart.de/~imd/index.html IMD] ('''I'''TAP '''M'''olecular '''D'''ynamics Program) is a software package for classical [[molecular dynamics]] simulations. Several types of interactions are supported, such as central pair potentials, [[Embedded atom model |EAM potential]]s for metals, [[Stillinger-Weber model |Stillinger-Weber]] and [[Tersoff potential]]s for covalent systems, and [[Gay-Berne model |Gay-Berne potential]]s for [[liquid crystals]]. A rich choice of simulation options is available: different integrators for the simulation of the various thermodynamic ensembles, options that allow to shear and deform the sample during the simulation, and many more. | [http://www.itap.physik.uni-stuttgart.de/~imd/index.html IMD] ('''I'''TAP '''M'''olecular '''D'''ynamics Program) is a software package for classical [[molecular dynamics]] simulations. Several types of interactions are supported, such as central pair potentials, [[Embedded atom model |EAM potential]]s for metals, [[Stillinger-Weber model |Stillinger-Weber]] and [[Silicon potential#Tersoff potential|Tersoff potential]]s for covalent systems, and [[Gay-Berne model |Gay-Berne potential]]s for [[liquid crystals]]. A rich choice of simulation options is available: different integrators for the simulation of the various thermodynamic ensembles, options that allow to shear and deform the sample during the simulation, and many more. | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1142/S0129183197000990 J. Stadler, R. Mikulla, and H.-R. Trebin "IMD: A Software Package for Molecular Dynamics Studies on Parallel Computers", International Journal of Modern Physics C '''8''' pp. 1131-1140 (1997)] | #[http://dx.doi.org/10.1142/S0129183197000990 J. Stadler, R. Mikulla, and H.-R. Trebin "IMD: A Software Package for Molecular Dynamics Studies on Parallel Computers", International Journal of Modern Physics C '''8''' pp. 1131-1140 (1997)] | ||
[[Category: Materials modelling and computer simulation codes]] | [[Category: Materials modelling and computer simulation codes]] | ||
Revision as of 15:45, 8 February 2008
IMD (ITAP Molecular Dynamics Program) is a software package for classical molecular dynamics simulations. Several types of interactions are supported, such as central pair potentials, EAM potentials for metals, Stillinger-Weber and Tersoff potentials for covalent systems, and Gay-Berne potentials for liquid crystals. A rich choice of simulation options is available: different integrators for the simulation of the various thermodynamic ensembles, options that allow to shear and deform the sample during the simulation, and many more.