[lammps-users] Could lammps calculate the stress tensor based on intermolecular interactions
Mon, 13 Nov 2017 21:59:07 +0800
Dear lammps users
I am wondering if there is a way to calculate stress tensor based on intermolecular. I have read the manual the compute stress/tally command is able to calculate the stress tensor based on intermolecular for the system without
no bonds, no Kspace, and no manybody interactions. But my system has bonds and Kspace, so is there any ways to do that?