The potential energy of the system should be zero if I turn of all the interactions in the system. This only happens if I use the following commands.
pair_style lj/cut/coul/cut 10
pair_modify mix arithmetic compute no
bond_style harmonic
angle_style harmonic
dihedral_style harmonic
and No Kspace style. The thermo output is as follows.
Time PotEng 1 2 3 4
0 0 0 0 0 0
The potential energy of the system should be zero if I turn of all the
interactions in the system. This only happens if I use the following
commands.
but you *didn't* turn off all interactions! you still had a kspace
style defined and active. thus the result you got is correct.
in the case below you *do* turn off *all* interactions. so LAMMPS is
correct in both cases.
axel.