!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_000 Supported species : Ag O Ta 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 AgO 10 / 10 yes AgTa 10 / 10 yes OO 10 / 10 yes OTa 10 / 10 yes TaTa 10 / 10 yes AgAgAg 10 / 10 yes AgAgO 10 / 10 yes AgAgTa 10 / 10 yes AgOO 10 / 10 yes AgOTa 10 / 10 yes AgTaTa 10 / 10 yes OOO 10 / 10 yes OOTa 10 / 10 yes OTaTa 10 / 10 yes TaTaTa 10 / 10 yes AgAgAgAg 10 / 10 yes AgAgAgO 10 / 10 yes AgAgAgTa 10 / 10 yes AgAgOO 10 / 10 yes AgAgOTa 10 / 10 yes AgAgTaTa 10 / 10 yes AgOOO 10 / 10 yes AgOOTa 10 / 10 yes AgOTaTa 10 / 10 yes AgTaTaTa 10 / 10 yes OOOO 10 / 10 yes OOOTa 10 / 10 yes OOTaTa 10 / 10 yes OTaTaTa 10 / 10 yes TaTaTaTa 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.