fix for ScaFaCoS library

examples/scafacos/data.NaCl

@@ -0,0 +1,25 @@
+ LAMMPS Description
+ 
+          8 atoms
+ 
+           2 atom types
+ 
+   0.0000000000000000        2.000000000000000      xlo xhi
+   0.0000000000000000        2.000000000000000      ylo yhi
+   0.0000000000000000        2.000000000000000      zlo zhi
+ 
+ Masses
+ 
+              1   22.98976928     
+              2   35.45
+ 
+ Atoms
+ 
+    1    1    1   1.0    0.0    0.0     0.0
+    2    1    2   -1.0   1.0    0.0     0.0
+    3    1    2   -1.0   0.0    1.0     0.0
+    4    1    1   1.0    1.0    1.0     0.0
+    5    1    2   -1.0   0.0    0.0     1.0
+    6    1    1   1.0    1.0    0.0     1.0
+    7    1    1   1.0    0.0    1.0     1.0
+    8    1    2   -1.0   1.0    1.0     1.0

examples/scafacos/in.scafacos

@@ -0,0 +1,22 @@
+# Point dipoles in a 2d box
+
+units		lj
+atom_style  full	
+
+read_data data.NaCl
+
+# need both mass settings due to hybrid atom style
+
+velocity	all set 0.0 0.0 0.0 mom no
+
+pair_style	zero 1.0
+pair_coeff	* * 
+
+neighbor	1.0 bin
+neigh_modify	delay 0
+
+fix		1 all scafacos fmm
+
+timestep	0.005
+
+run		100