!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-species-supported-as-stated !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: This verfication check ensures that a model supports all of the species that it claims. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of supported elements. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful calculation. This algorithm accounts for the fact that some models may only support species in certain combinations. For example a model supporting species A and B may be for an AB alloy and may only support A-B interactions and not A-A or B-B. The output provides full information on which interactions are supported and which are not. Author: Ellad Tadmor -------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_Smirnova_UMoXe__MO_679329885632_004 Supported species : Mo U Xe Maximum cluster size considered (#atoms) = 4 Maximum number of allowed combinations = 10000 Radius of ball containing clusters: = 1.500 Minimum allowed distance between atoms: = 1.000 Number of random samples for each cluster = 10 Random number seed: = 13 -------------------------------------------------------------------------------- Cluster Success Supported -------------------------------- MoMo 10 / 10 yes MoU 10 / 10 yes MoXe 10 / 10 yes UU 10 / 10 yes UXe 10 / 10 yes XeXe 10 / 10 yes MoMoMo 2 / 10 yes MoMoU 7 / 10 yes MoMoXe 3 / 10 yes MoUU 9 / 10 yes MoUXe 6 / 10 yes MoXeXe 4 / 10 yes UUU 10 / 10 yes UUXe 10 / 10 yes UXeXe 10 / 10 yes XeXeXe 10 / 10 yes MoMoMoMo 0 / 10 ** NO ** MoMoMoU 0 / 10 ** NO ** MoMoMoXe 0 / 10 ** NO ** MoMoUU 2 / 10 yes MoMoUXe 0 / 10 ** NO ** MoMoXeXe 1 / 10 yes MoUUU 4 / 10 yes MoUUXe 3 / 10 yes MoUXeXe 3 / 10 yes MoXeXeXe 5 / 10 yes UUUU 10 / 10 yes UUUXe 10 / 10 yes UUXeXe 10 / 10 yes UXeXeXe 10 / 10 yes XeXeXeXe 10 / 10 yes -------------------------------- ================================================================================ To pass this verification check each model element must be supported in at least one cluster combination. Grade: P Comment: All elements claimed by model are supported in at least one of the tested configrations.