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