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Driver for the Lennard-Jones model uniformly shifted to have zero energy at the cutoff radius v003
Description This is a driver for the Lennard-Jones (LJ) 6-12 pair potential model, uniformly shifted by a constant value so as to have zero energy 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 shifting 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 2018
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Funding Not available
Short KIM ID
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Extended KIM ID
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DOI 10.25950/e4ff8da6
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Fortran
Previous Version LJ_Shifted__MD_498634107543_002

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