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A single sentence description.
Driver for the Lennard-Jones model truncated to have zero energy above the cutoff radius
Description This is a driver for the Lennard-Jones (LJ) 6-12 pair potential model, truncated to have zero energy above a specified cutoff radius. As a result the energy and its derivatives will be discontinuous at the cutoff radius. The driver reads in the cutoff radius and the LJ parameters energy (in eV) and sigma (in Angstrom).
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
The original Lennard-Jones (LJ) potential does not have a cutoff. Introducing a cutoff and truncating the potential will change its predictions. The LJ potential is appropriate for noble gas elements and other systems where van der Waals interactions are dominant.
Contributor Ellad B. Tadmor
Maintainer Ellad B. Tadmor
Published on KIM 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
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Extended KIM ID
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Citable Link https://openkim.org/cite/MD_132729421025_000
KIM Item TypeModel Driver
KIM API Version1.6
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Fortran

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