How to compute spatial distribution of pressure

LAMMPS users / developers,

How to correctly compute the spatial distribution of pressure for a system in which the particles do not fully occupy the domain? For example, like in the attached figure.

I just read the section in the Manual “compute stress/atom”, and it seems that the key issue is how to define a per atom volume.

So I’m wondering if there is practical workaround to get it.

Thanks in advance for sharing any comment and experience.


There is no simple universal answer to that.

You can look at compute voronoi/atom, which

is one solution.