build vdW into pair potential or use hybrid overlay w/table ?

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1

Hi Lammps users,

Would it be more efficient to build a pair-wise vdW term directly into a
many body potential versus using hybrid overlay with a table? The many
body potential I am working on has a short ranged cutoff with 5.0
angstroms + skin. However I also want to add an additional pair-wise vdW
term with a 8 angstrom cutoff + skin. Is there a rule of thumb?

Thanks for the help,
John

2

If you just want to add a VdW term you could
do hybrid/overlay and a pair style like lj/cut.
You wouldn't neeb to tabulate it and use pair_style
table. It will be less efficient than hard-coding it
into your many-body potential, but you don't
have to write any code to do it, so I would try
that first.

Steve