{ "contributor-id" "b645a915-d1fa-4155-a3da-65469f990011" "description" "This is a driver, tuned for efficiency, for the Lennard-Jones (LJ) 6-12 pair potential model. It supports the option to be truncated to have zero energy above a specified cutoff radius or shifted to have a continuous energy at the cutoff radius. The driver is capable of supporting multiple species interactions. If only \"like-like\" interactions are specified then the driver use the Lorentz-Berthelot mixing rules to generate the unlike interaction parameters. See the README file for details. Version 002 fixes the unit conversion for the cutoffs and sigma values." "developer" [ "eb124224-7e88-4582-ac67-15d48347bbba" ] "doi" "10.25950/ac258694" "domain" "openkim.org" "executables" [ "CreateDispatch.sh" ] "extended-id" "LJ__MD_414112407348_003" "implementer" [ "b645a915-d1fa-4155-a3da-65469f990011" ] "kim-api-version" "2.0" "maintainer-id" "b645a915-d1fa-4155-a3da-65469f990011" "publication-year" "2018" "source-citations" [ { "author" "J. E. Jones" "doi" "10.1098/rspa.1924.0081" "journal" "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences" "number" "738" "pages" "441--462" "publisher" "The Royal Society" "recordkey" "MD_414112407348_003a" "recordtype" "article" "title" "On the Determination of Molecular Fields. {I}. {F}rom the Variation of the Viscosity of a Gas with Temperature" "volume" "106" "year" "1924" } { "author" "J. E. Jones" "doi" "10.1098/rspa.1924.0082" "journal" "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences" "number" "738" "pages" "463--477" "publisher" "The Royal Society" "recordkey" "MD_414112407348_003b" "recordtype" "article" "title" "On the Determination of Molecular Fields. {II}. {F}rom the Equation of State of a Gas" "volume" "106" "year" "1924" } { "author" "J. E. Lennard-Jones" "doi" "10.1098/rspa.1925.0147" "journal" "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences" "number" "752" "pages" "584--497" "publisher" "The Royal Society" "recordkey" "MD_414112407348_003c" "recordtype" "article" "title" "On the Forces between Atoms and Ions" "volume" "109" "year" "1925" } ] "title" "Efficient multi-species Lennard-Jones model with truncated or shifted cutoff v003" }