regarding hardy stress calculations

Dear Dr. J. Zimmerman,

For that i need to use AtC package.
I just wondering is it possible to calculate hardy stress tensor on each atom with out building AtC package (purely atomistic no FE mesh)?

thanking you

No, that’s not possible.

It is possible to compute the atomic contribution to the system’s virial stress by using the stress/atom compute (please see the document pages on the lammps website for instruction on how to use this compute). However, this stress exhibits slightly different behavior from the hardy measure of stress, as discussed in my MSMSE article from 2004, and the article by Webb, Zimmerman and Seel that appeared in Mathematics and Mechanics of Solids in 2008.