updated nanoshear tutorial

Author: simongravelle

level2/nanosheared-electrolyte/equilibration/input.lammps

@@ -21,13 +21,14 @@
 # ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀
 # ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀
 
-boundary p p p
+boundary p p f
 units real
 atom_style full
 bond_style harmonic
 angle_style harmonic
 pair_style lj/cut/tip4p/long 1 2 1 1 0.1546 12.0
 kspace_style pppm/tip4p 1.0e-4
+kspace_modify slab 3.0
 
 read_data ../minimization/system.data
 
@@ -48,5 +49,6 @@ variable deltaz equal v_walltopz-v_wallbotz
 fix myat1 all ave/time 100 1 100 v_deltaz file interwall_distance.dat
 
 run 30000
-write_data system.data
+
+write_data system.data nocoeff