!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 Supported species : Al H Ni 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 -------------------------------- AlAl 10 / 10 yes AlH 10 / 10 yes AlNi 10 / 10 yes HH 10 / 10 yes HNi 10 / 10 yes NiNi 10 / 10 yes AlAlAl 10 / 10 yes AlAlH 10 / 10 yes AlAlNi 10 / 10 yes AlHH 10 / 10 yes AlHNi 10 / 10 yes AlNiNi 10 / 10 yes HHH 10 / 10 yes HHNi 10 / 10 yes HNiNi 10 / 10 yes NiNiNi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlH 10 / 10 yes AlAlAlNi 10 / 10 yes AlAlHH 10 / 10 yes AlAlHNi 10 / 10 yes AlAlNiNi 10 / 10 yes AlHHH 10 / 10 yes AlHHNi 10 / 10 yes AlHNiNi 10 / 10 yes AlNiNiNi 10 / 10 yes HHHH 10 / 10 yes HHHNi 10 / 10 yes HHNiNi 10 / 10 yes HNiNiNi 10 / 10 yes NiNiNiNi 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.