coul/wolf bug

Dear Lammps-users,
I think I found a bug in coul/wolf. It doesn't look like the energy goes
to zero for r > rcut.

Here is a test job which scans the coulombic energy for an arbitrary dimer
with +1.0 charge on each atom for r = 1.0 angstroms to r = 10.0 angstroms
in increments of 0.1 angstroms per step.


coul.lammpstrj (172 KB)

data.dimer (231 Bytes) (471 Bytes)

dimer.out (26.1 KB)