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.

Bruce

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