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.
Thanks,
John
coul.lammpstrj (172 KB)
data.dimer (231 Bytes)
dimer.in (471 Bytes)
dimer.out (26.1 KB)