1# Point dipoles in a 2d box 2 3units lj 4atom_style charge 5 6read_data data.NaCl 7 8replicate 8 8 8 9 10velocity all create 1.5 49893 11 12neighbor 1.0 bin 13neigh_modify delay 0 14 15fix 1 all nve 16 17# LAMMPS computes pairwise and long-range Coulombics 18 19#pair_style coul/long 3.0 20#pair_coeff * * 21#kspace_style pppm 1.0e-3 22 23# Scafacos computes entire long-range Coulombics 24# use dummy pair style to perform atom sorting 25 26pair_style zero 1.0 27pair_coeff * * 28 29#fix 2 all scafacos p3m tolerance field 0.001 30 31kspace_style scafacos ewald 0.001 32kspace_modify scafacos tolerance field 33 34timestep 0.005 35thermo 10 36 37run 100 38