!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 Supported species : Mo S 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 -------------------------------- MoMo 10 / 10 yes MoS 10 / 10 yes SS 10 / 10 yes MoMoMo 10 / 10 yes MoMoS 10 / 10 yes MoSS 10 / 10 yes SSS 10 / 10 yes MoMoMoMo 10 / 10 yes MoMoMoS 10 / 10 yes MoMoSS 10 / 10 yes MoSSS 10 / 10 yes SSSS 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.