pair_style hybrid

Please always reply to the mailing list and not only to individual people. Thanks, Axel.

sorry, but while this includes a correctly formatted and complete data file, it is still incorrect and inconsistent.

you reported an error of: ERROR: Pair hybrid sub-style is not used (…/pair_hybrid.cpp:461)
but - as noted before - this error is not possible with the input provided.
instead, the error is (correctly): ERROR on proc 0: All pair coeffs are not set (src/pair_hybrid.cpp:596)

you can easily check by inserting the command “info coeffs” for which pairs of atom types the pair_coeff statements are missing.

there are other problems, too. for example, using the EAM potential distributed with LAMMPS you must use metal units.
the rest of the input looks haphazard and rather carelessly put together, too.

i have no time and interest to help people that cannot report their problems correctly and consistently and that don’t seem to care much about how much effort it is to help somebody under these circumstances. this is my last response on this. if you need more help, you have to hope for somebody else stepping in.



It seems you’ve only defined forces between j-j particle interactions and no cross- interactions between types; this would normally raise an error in the hybrid pair style code since it expects interactions to be defined between particle types in the system and when they are not provided it may define coefficients based on mixing relationships of j-j interactions. I suppose you defined specific bond topology between these types instead; I’m not aware of an option to invoke this kind of total potential at the moment however. As an aside, the error message you reported does not seem to be on that line in the newest distribution; I suggest you update in order to provide consistent error reports on the mailing list and potentially also avoid fixed bugs.

As for the problem of defining such pair coefficients for the lj and eam styles, you can try providing null coefficients (leading to zero potential energy contribution between k-j particle types). The only other way I see would be to code your own custom pair-hybrid where the error is nullified and you change the logic for skip neighbor lists.

Adrian Diaz