Dear All,
I have sheared a box within elastic limits of the material and want to calculate ‘plastic’ displacements of each atoms. Note that this should exclude the elastic displacements which were provided by me (therefore I cannot use “compute displace/atom”).
To do this I am employing the following strategy–

I transform the cell back to the original using ‘displace_atoms ff ramp’ command such that I linearly revert back the imparted elastic displacement.

Now I can calculate the resulting plastic displacements(if any) by comparing this with the reference configuration.
Am I doing this correctly ??
Any comment is appreciated.
Thanks,
Regards,