[lammps-users] compute stress/atom

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1

Hi all developers,

The command invalidates for simulations in which bond angle potentials such as Stilinger-Weber potential are used. Is there any way to output stress tensor and potential energy for these relative simulations? Any suggestion?

Thanks

Regards all
Qin

2

Per-atom energy or stress is not yet implemented for some many-body
potentials including SW. You'd have to post-process this quantity.

Steve