Doubt in compute stress/atom command

Submitted by Narayani on Sat, 01/30/2021 - 12:14

Hello!
I need to calculate the stress due to deformation of two bodies. I have been using the compute/stress command to do so. On comparing with the forces which i calculated manually for a given deformation, I realised that the stress values that i got from LIGGGHTS is actually equal to the force * overlap.
I wanted to know if indeed the compute stress/atom command is storing the work done due to deformation. If so, which files can I refer to where the calculation is being done?

Which other way can I use to calculate the stress on the atom? Compute stress/command is not giving me the stress calculated using the kirkwood riseman formula for stress. Which is the correct command to use?

Thanks in advanced ,
Narayani