# Point dipoles in a 2d box units lj atom_style charge read_data data.NaCl replicate 8 8 8 velocity all create 1.5 49893 neighbor 1.0 bin neigh_modify delay 0 fix 1 all nve # LAMMPS computes pairwise and long-range Coulombics #pair_style coul/long 3.0 #pair_coeff * * #kspace_style pppm 1.0e-3 # Scafacos computes entire long-range Coulombics # use dummy pair style to perform atom sorting pair_style zero 1.0 pair_coeff * * #fix 2 all scafacos p3m tolerance field 0.001 kspace_style scafacos p3m 0.001 #kspace_style scafacos tolerance field timestep 0.005 thermo 10 run 100