make certain pair_style to be non-periodic in pair_style hybrid/overlay?

Hi all,

If I have multiple pair_style between atoms, can I allow one pair_style to have periodic boundary conditions while others do not? More specifically, I am introducing a substance at the inlet that should diffuse in the flow body. However, I don’t want the substance to be diffused from the inlet to the outlet due to the periodic boundary conditions I have set for the flow to happen.

I can explicitly check if the interaction is with a ghost atom that is outside the simulation domain (hence indicate the periodicity) or not in the source code for the pair_style. Is this the right way to approach this?

Many thanks,

Periodicity is not part of the pair styles. So what you are asking for makes not sense in LAMMPS.



If your “inlet” and “outlet” are essentially different. Maybe you shouldn’t be using a periodic boundary in that direction. But then again that really depends on your model.


Khalid Abdelaziz