{ "title" "Dimer C1 Continuity Check" "extended-id" "DimerContinuityC1__VC_303890932454_000" "simulator-name" "ase" "properties" [ "tag:tadmor@noreply.openkim.org,2017-02-01:property/verification-check" ] "creator" "Ellad Tadmor" "description" "Determines whether a model has a continuous energy and first\nderivative, i.e. belongs to the C^1 continuity class, for all possible dimers.\nFor a model supporting N species, there are N + N!/(2(N-2)!) dimers for all\npossible species combinations. For each dimer, the equilibrium separation\nand cutoff are determined. The continuity across the cutoff is assessed.\nThen an analysis is performed to detect any discontinuities from half the\nequilibrium distance to the cutoff. Although the verification\ncheck only requires C^1 continuity to pass, continuity up to 3rd order is\nchecked and reported." "contributor-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "maintainer-id" "360c0aed-48ce-45f6-ba13-337f12a531e8" "publication-year" "2017" "kim-api-version" "1.9.0" "domain" "openkim.org" }