{ "contributor-id" "1ca2116a-8ef0-4f27-baa5-c6bd14160e05" "description" "This is a driver for a smoothed Lennard-Jones (LJ) 6-12 pair potential. A quadratic function is added to the standard LJ potential so that the resulting potential function and its derivative are zero at the cutoff radius. The driver is written in Fortran 2003." "developer" [ "eb124224-7e88-4582-ac67-15d48347bbba" ] "doi" "10.25950/597a8a47" "domain" "openkim.org" "extended-id" "LJ_Smoothed__MD_716364606252_001" "implementer" [ "1ca2116a-8ef0-4f27-baa5-c6bd14160e05" ] "kim-api-version" "2.0" "maintainer-id" "1ca2116a-8ef0-4f27-baa5-c6bd14160e05" "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_132729421025_001a" "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_132729421025_001b" "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_132729421025_001c" "recordtype" "article" "title" "On the Forces between Atoms and Ions" "volume" "109" "year" "1925" } ] "title" "Driver for the Lennard-Jones pair potential smoothed using a quadratic function v001" }