!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_BonnyTerentyev_2014EAM1_W__MO_292520929154_000 Supported species : H He W 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 -------------------------------- HH 10 / 10 yes HHe 10 / 10 yes HW 10 / 10 yes HeHe 10 / 10 yes HeW 10 / 10 yes WW 10 / 10 yes HHH 10 / 10 yes HHHe 10 / 10 yes HHW 10 / 10 yes HHeHe 10 / 10 yes HHeW 10 / 10 yes HWW 10 / 10 yes HeHeHe 10 / 10 yes HeHeW 10 / 10 yes HeWW 10 / 10 yes WWW 10 / 10 yes ERROR: Unable to perform verification check. Message = ERROR: Unable to obtain libexec-path from KIM API utility.