!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_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 ERROR: Unable to perform verification check. Message = ERROR: Unable to obtain libexec-path from KIM API utility.