[lammps-users] vector definition

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1

As I responded to someone (you?) last week, there is no
clear definition of pressure in a region. What LAMMPS can
do is calcluate a per-atom stress (pressure) via the compute stress/atom
command. You could then dump this or sum it via other commands
like compute reduce/region. If you dump it, you can post-process
the values into whatever N bins you like.

Steve

2

Dear Steve

I need to use kspace style then I can not use compute stress/atom. Do you have any other suggestion?

Regards

Saly

3

Computing pressure in a geometric region, while including Kspace
effects, again makes little sense or is ill-deifined. I don't know
how to do that,
so neither does LAMMPS.

Steve