!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FarkasJones_1996_NbTiAl__MO_042691367780_000 Supported species : Al Nb Ti 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 AlNb 8 / 10 yes AlTi 10 / 10 yes NbNb 2 / 10 yes NbTi 5 / 10 yes TiTi 10 / 10 yes AlAlAl 10 / 10 yes AlAlNb 6 / 10 yes AlAlTi 10 / 10 yes AlNbNb 4 / 10 yes AlNbTi 3 / 10 yes AlTiTi 10 / 10 yes NbNbNb 0 / 10 ** NO ** NbNbTi 1 / 10 yes NbTiTi 6 / 10 yes TiTiTi 10 / 10 yes AlAlAlAl 10 / 10 yes AlAlAlNb 1 / 10 yes AlAlAlTi 10 / 10 yes AlAlNbNb 0 / 10 ** NO ** AlAlNbTi 1 / 10 yes AlAlTiTi 9 / 10 yes AlNbNbNb 0 / 10 ** NO ** AlNbNbTi 0 / 10 ** NO ** AlNbTiTi 3 / 10 yes AlTiTiTi 9 / 10 yes NbNbNbNb 0 / 10 ** NO ** NbNbNbTi 1 / 10 yes NbNbTiTi 0 / 10 ** NO ** NbTiTiTi 0 / 10 ** NO ** TiTiTiTi 9 / 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.