[lammps-users] compute in loops

Dear all,

I am trying to shear a structure using a loop in lammps. In my output, I need to calculate the Potential energy for each individual atom and output it in dump file.
I used following input scripts (the part related to loops)

What is your thermo output value. I think the problem lies in the minimization (You dont know how many steps it is going to take). Steve could further elaborate if I am correct.