FW: inner cutoff for SW potential ?

Thank you for your quick answer.
“the solution would be to create a derived class PairSWZBL and replace the twobody() method with a custom version.” Is there a way to do this with the actual version of LAMMPS ?

Thank you for your quick answer.
"the solution would be to create a derived class PairSWZBL and replace the
twobody() method with a custom version." Is there a way to do this with the
actual version of LAMMPS ?

i don't know how you can modify a code without modifying it. LAMMPS
makes it extremely easy to include such local modifications and thus
it is more often than not the best solution. and the sw pair style is
very well written and documented, so you don't have to be an expert to
do this.

you saw aidan's suggestion to just add zbl to sw via hybrid/overlay,
but that keeps the existing sw repulsive. the only other alternative
would be to tabulate the difference between the twobody term of sw and
zbl and add this via hybrid/overlay. however, that is clumsy and error
prone, since tabulation requires care and particularly if short r
behavior is important, you may run into artifacts.

axel.