!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-species-supported-as-stated !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: This verification check ensures that a model supports all of the species that it claims to. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of the species listed by the model. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful calculation, i.e. the model does not abort during the 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. Note that this definition of 'support' does not imply that the model has non- trivial energy and/or force interactions for any of the species. Author: Ellad Tadmor -------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000 Supported species : H He 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 -------------------------------- HH 10 / 10 yes HHe 10 / 10 yes HPd 10 / 10 yes HeHe 10 / 10 yes HePd 10 / 10 yes PdPd 10 / 10 yes HHH 10 / 10 yes HHHe 10 / 10 yes HHPd 10 / 10 yes HHeHe 10 / 10 yes HHePd 10 / 10 yes HPdPd 10 / 10 yes HeHeHe 10 / 10 yes HeHePd 10 / 10 yes HePdPd 10 / 10 yes PdPdPd 10 / 10 yes HHHH 10 / 10 yes HHHHe 10 / 10 yes HHHPd 10 / 10 yes HHHeHe 10 / 10 yes HHHePd 10 / 10 yes HHPdPd 10 / 10 yes HHeHeHe 10 / 10 yes HHeHePd 10 / 10 yes HHePdPd 10 / 10 yes HPdPdPd 10 / 10 yes HeHeHeHe 10 / 10 yes HeHeHePd 10 / 10 yes HeHePdPd 10 / 10 yes HePdPdPd 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 configurations.