!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 Supported species : Cu Fe 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 -------------------------------- CuCu 10 / 10 yes CuFe 10 / 10 yes CuNi 10 / 10 yes FeFe 10 / 10 yes FeNi 10 / 10 yes NiNi 10 / 10 yes CuCuCu 10 / 10 yes CuCuFe 10 / 10 yes CuCuNi 10 / 10 yes CuFeFe 10 / 10 yes CuFeNi 10 / 10 yes CuNiNi 10 / 10 yes FeFeFe 10 / 10 yes FeFeNi 10 / 10 yes ERROR: Unable to perform verification check. Message = ERROR: Unable to obtain libexec-path from KIM API utility.