[lammps-users] Compute force thru stress tensor

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1

Hi，LAMMPS doesn't output force on a certain atom directly. So I wanna
compute it from the per-atom stress tensor, but the definition of
stress tensor is somewhat different from that in the continuum elastic
theory. What's the method to calculate force from the per-atom stress
tensor?

Best.

2

2010/11/30 Alfred Zhao <[email protected]...>:

Hi，LAMMPS doesn't output force on a certain atom directly. So I wanna
compute it from the per-atom stress tensor, but the definition of

you _can_ output the force on each atom, e.g. using a custom dump
with the fx fy fz flags.

axel.

3

Axel's comment is correct, if you want the total
force on each atom. If you want particle force
due to some other atoms, then look at the compute
group/group command, which you can also generate
output from.

Steve