!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 Supported species : Ag H Pd 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 -------------------------------- AgAg 10 / 10 yes AgH 10 / 10 yes AgPd 10 / 10 yes HH 10 / 10 yes HPd 10 / 10 yes PdPd 10 / 10 yes AgAgAg 10 / 10 yes AgAgH 10 / 10 yes AgAgPd 10 / 10 yes AgHH 10 / 10 yes AgHPd 10 / 10 yes AgPdPd 10 / 10 yes HHH 10 / 10 yes HHPd 10 / 10 yes HPdPd 10 / 10 yes PdPdPd 10 / 10 yes AgAgAgAg 10 / 10 yes AgAgAgH 10 / 10 yes AgAgAgPd 10 / 10 yes AgAgHH 10 / 10 yes AgAgHPd 10 / 10 yes AgAgPdPd 10 / 10 yes AgHHH 10 / 10 yes AgHHPd 10 / 10 yes AgHPdPd 10 / 10 yes AgPdPdPd 10 / 10 yes HHHH 10 / 10 yes HHHPd 10 / 10 yes HHPdPd 10 / 10 yes HPdPdPd 10 / 10 yes PdPdPdPd 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.