!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : model_ArCHHeXe_BOP_AIREBO__MO_154399806462_001 Supported species : Ar C H He Xe 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 -------------------------------- ArAr 10 / 10 yes ArC 10 / 10 yes ArH 10 / 10 yes ArHe 10 / 10 yes ArXe 10 / 10 yes CC 10 / 10 yes CH 10 / 10 yes CHe 10 / 10 yes CXe 10 / 10 yes HH 10 / 10 yes HHe 10 / 10 yes HXe 10 / 10 yes HeHe 10 / 10 yes HeXe 10 / 10 yes XeXe 10 / 10 yes ArArAr 10 / 10 yes ArArC 10 / 10 yes ArArH 10 / 10 yes ArArHe 10 / 10 yes ArArXe 10 / 10 yes ArCC 10 / 10 yes ArCH 10 / 10 yes ArCHe 10 / 10 yes ArCXe 10 / 10 yes ArHH 10 / 10 yes ArHHe 10 / 10 yes ArHXe 10 / 10 yes ArHeHe 10 / 10 yes ArHeXe 10 / 10 yes ArXeXe 10 / 10 yes CCC 10 / 10 yes CCH 10 / 10 yes CCHe 10 / 10 yes CCXe 10 / 10 yes CHH 10 / 10 yes CHHe 10 / 10 yes CHXe 10 / 10 yes CHeHe 10 / 10 yes CHeXe 10 / 10 yes CXeXe 10 / 10 yes HHH 10 / 10 yes HHHe 10 / 10 yes HHXe 10 / 10 yes HHeHe 10 / 10 yes HHeXe 10 / 10 yes HXeXe 10 / 10 yes HeHeHe 10 / 10 yes HeHeXe 10 / 10 yes HeXeXe 10 / 10 yes XeXeXe 10 / 10 yes ArArArAr 10 / 10 yes ArArArC 10 / 10 yes ArArArH 10 / 10 yes ArArArHe 10 / 10 yes ArArArXe 10 / 10 yes ArArCC 10 / 10 yes ArArCH 10 / 10 yes ArArCHe 10 / 10 yes ArArCXe 10 / 10 yes ArArHH 10 / 10 yes ArArHHe 10 / 10 yes ArArHXe 10 / 10 yes ArArHeHe 10 / 10 yes ArArHeXe 10 / 10 yes ArArXeXe 10 / 10 yes ArCCC 10 / 10 yes ArCCH 10 / 10 yes ArCCHe 10 / 10 yes ArCCXe 10 / 10 yes ArCHH 10 / 10 yes ArCHHe 10 / 10 yes ArCHXe 10 / 10 yes ArCHeHe 10 / 10 yes ArCHeXe 10 / 10 yes ArCXeXe 10 / 10 yes ArHHH 10 / 10 yes ArHHHe 10 / 10 yes ArHHXe 10 / 10 yes ArHHeHe 10 / 10 yes ArHHeXe 10 / 10 yes ArHXeXe 10 / 10 yes ArHeHeHe 10 / 10 yes ArHeHeXe 10 / 10 yes ArHeXeXe 10 / 10 yes ArXeXeXe 10 / 10 yes CCCC 10 / 10 yes CCCH 10 / 10 yes CCCHe 10 / 10 yes CCCXe 10 / 10 yes CCHH 10 / 10 yes CCHHe 10 / 10 yes CCHXe 10 / 10 yes CCHeHe 10 / 10 yes CCHeXe 10 / 10 yes CCXeXe 10 / 10 yes CHHH 10 / 10 yes CHHHe 10 / 10 yes CHHXe 10 / 10 yes CHHeHe 10 / 10 yes CHHeXe 10 / 10 yes CHXeXe 10 / 10 yes CHeHeHe 10 / 10 yes CHeHeXe 10 / 10 yes CHeXeXe 10 / 10 yes CXeXeXe 10 / 10 yes HHHH 10 / 10 yes HHHHe 10 / 10 yes HHHXe 10 / 10 yes HHHeHe 10 / 10 yes HHHeXe 10 / 10 yes HHXeXe 10 / 10 yes HHeHeHe 10 / 10 yes HHeHeXe 10 / 10 yes HHeXeXe 10 / 10 yes HXeXeXe 10 / 10 yes HeHeHeHe 10 / 10 yes HeHeHeXe 10 / 10 yes HeHeXeXe 10 / 10 yes HeXeXeXe 10 / 10 yes XeXeXeXe 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.