[lammps-users] Pressure calculation

Hi all,

   I ran a simulation of 64 LJ particles in a cubic box in LJ units. From the
positions that were dumped for a timestep, I tried calculating the pressure
myself and compared with the pressure reported by LAMMPS in the log file. The
pressure that I calculated is consistantly greater than pressure reported by
LAMMPS for a given timestep. Here is the routine that I wrote: