About computing regional pressure.

Hi, LAMMPS users!

I am here to asking about a method to calculate a regional pressure for certain volume of simulation box.

I’ve read

Is if possible, and feasible to calculate regional pressure by method that I wrote below?

  • Pxx = sum of virial stress(xx direction) in group / volume of group

Many thanks in all of the advances!

I think it’s fine to use what you wrote. Perhaps you also need to mind an intentional minus sign and not to forget about the ideal gas part of the pressure.


S LEE <[email protected]…8155…> 于 2019年2月24日周日 16:17写道: