ReaxFF use with hybrid pair style

What you are attempting to do is an excellent way to generate garbage results. If you read the ReaxFF papers by van Duin et al, you will see REAXFF is a STAND-ALONE force field and should not be combined with others. If you decide to ignore the limitations specifically stated by the original creators of REAXFF then you must perform exhaustive testing and comparison with other results to prove the combination of Force Fields you have unwisely chosen to use actually reproduces (and produces) correct results.

Any paper I get to review that tries to combine REAXFF with other force fields is subjected to extreme scrutiny and invariably rejected because the work was not done to prove the combine force fields generate correct results.

James Kress Ph.D., President

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