Dear all,

I want to have a summation of "position*energy" over all particles by

LAMMPS in a subscript. I did it by another program using the dump file but

I want to compute it by LAMMPS directly.

Any help would be appreciated.

Ali Rajabpour

Dear all,

I want to have a summation of "position*energy" over all particles by

LAMMPS in a subscript. I did it by another program using the dump file but

I want to compute it by LAMMPS directly.

Any help would be appreciated.

Ali Rajabpour

You could write a per-atom formula using the variable

atom command. And have it multiply a coordinate times

a per-atom energy, calculated by a compute.

Steve