!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-species-supported-as-stated !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: This verification check ensures that a model supports all of the species that it claims to. The verification check attempts to compute the energy for all clusters up to a preset size for all combinations of the species listed by the model. Several random samples are generated for each cluster. The check is successful if all elements appear in at least one successful calculation, i.e. the model does not abort during the 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. Note that this definition of 'support' does not imply that the model has non- trivial energy and/or force interactions for any of the species. Author: Ellad Tadmor -------------------------------------------------------------------------------- Results for KIM Model : Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 Supported species : C H O V 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 -------------------------------- CC 10 / 10 yes CH 10 / 10 yes CO 10 / 10 yes CV 10 / 10 yes HH 10 / 10 yes HO 10 / 10 yes HV 10 / 10 yes OO 10 / 10 yes OV 10 / 10 yes VV 10 / 10 yes CCC 10 / 10 yes CCH 10 / 10 yes CCO 10 / 10 yes CCV 10 / 10 yes CHH 10 / 10 yes CHO 10 / 10 yes CHV 10 / 10 yes COO 10 / 10 yes COV 10 / 10 yes CVV 10 / 10 yes HHH 10 / 10 yes HHO 10 / 10 yes HHV 10 / 10 yes HOO 10 / 10 yes HOV 10 / 10 yes HVV 10 / 10 yes OOO 10 / 10 yes OOV 10 / 10 yes OVV 10 / 10 yes VVV 10 / 10 yes CCCC 10 / 10 yes CCCH 10 / 10 yes CCCO 10 / 10 yes CCCV 10 / 10 yes CCHH 10 / 10 yes CCHO 10 / 10 yes CCHV 10 / 10 yes CCOO 10 / 10 yes CCOV 10 / 10 yes CCVV 10 / 10 yes CHHH 10 / 10 yes CHHO 10 / 10 yes CHHV 10 / 10 yes CHOO 10 / 10 yes CHOV 10 / 10 yes CHVV 10 / 10 yes COOO 10 / 10 yes COOV 10 / 10 yes COVV 10 / 10 yes CVVV 10 / 10 yes HHHH 10 / 10 yes HHHO 10 / 10 yes HHHV 10 / 10 yes HHOO 10 / 10 yes HHOV 10 / 10 yes HHVV 10 / 10 yes HOOO 10 / 10 yes HOOV 10 / 10 yes HOVV 10 / 10 yes HVVV 10 / 10 yes OOOO 10 / 10 yes OOOV 10 / 10 yes OOVV 10 / 10 yes OVVV 10 / 10 yes VVVV 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 configurations.