Dear Friends
When I use compute pressure command, I see the following command. Is the compute just for all of the atoms?
ERROR: Compute pressure must use group all
I want to compute pressure elements for some groups with style block in my simulation box.
Would you please guide me about this?
Regards
Saly
I want to compute pressure elements for some groups with style block in my simulation box.
Pressure of a subset of atoms is not a well-defined quantity. What
LAMMPS can do is computer the per-atom stress (tensor) and
you can sum it over whatever atoms you like and divide by
their "volume", whatever that means. See the compute stress/atom
doc page.
Steve