replaced non ascii parameters (-)

Author: simongravelle

files/tutorial4/groups.inc

@@ -5,7 +5,7 @@
 
 group H2O type O H
 group Na type Na+
-group Cl type Cl−
+group Cl type Cl-
 group ions union Na Cl
 group fluid union H2O ions
 

files/tutorial4/parameters.inc

@@ -6,15 +6,15 @@
 mass O 15.9994
 mass H 1.008
 mass Na+ 22.990
-mass Cl− 35.453
+mass Cl- 35.453
 mass WALL 26.9815
 
 pair_coeff O O 0.185199 3.1589
 pair_coeff H H 0.0 1.0
 pair_coeff Na+ Na+ 0.04690 2.4299
-pair_coeff Cl− Cl− 0.1500 4.04470
+pair_coeff Cl- Cl- 0.1500 4.04470
 pair_coeff WALL WALL 11.697 2.574
 pair_coeff O WALL 0.4 2.86645
 
-bond_coeff O−H 0 0.9572
-angle_coeff H−O−H 0 104.52
+bond_coeff O-H 0 0.9572
+angle_coeff H-O-H 0 104.52

files/tutorial4/solution/create.lmp

@@ -8,35 +8,35 @@ units real
 atom_style full
 bond_style harmonic
 angle_style harmonic
-pair_style lj/cut/tip4p/long O H O−H H−O−H 0.1546 12.0
-kspace_style pppm/tip4p 1.0e−5
+pair_style lj/cut/tip4p/long O H O-H H-O-H 0.1546 12.0
+kspace_style pppm/tip4p 1.0e-5
 kspace_modify slab 3.0
 
 lattice fcc 4.04
-region box block −3 3 −3 3 −5 5
+region box block -3 3 -3 3 -5 5
 create_box 5 box &
   bond/types 1 &
   angle/types 1 &
   extra/bond/per/atom 2 &
   extra/angle/per/atom 1 &
   extra/special/per/atom 2
-labelmap atom 1 O 2 H 3 Na+ 4 Cl− 5 WALL
-labelmap bond 1 O−H
-labelmap angle 1 H−O−H
+labelmap atom 1 O 2 H 3 Na+ 4 Cl- 5 WALL
+labelmap bond 1 O-H
+labelmap angle 1 H-O-H
 
-region rbotwall block −3 3 −3 3 −4 −3
-region rtopwall block −3 3 −3 3 3 4
+region rbotwall block -3 3 -3 3 -4 -3
+region rtopwall block -3 3 -3 3 3 4
 region rwall union 2 rbotwall rtopwall
 create_atoms WALL region rwall
 
-region rliquid block INF INF INF INF −2 2
+region rliquid block INF INF INF INF -2 2
 molecule h2omol water.mol
 create_atoms 0 region rliquid mol h2omol 482793
 
 create_atoms Na+ random 15 5802 rliquid overlap 0.3 maxtry 500
-create_atoms Cl− random 15 9012 rliquid overlap 0.3 maxtry 500
+create_atoms Cl- random 15 9012 rliquid overlap 0.3 maxtry 500
 set type Na+ charge 1
-set type Cl− charge −1
+set type Cl- charge -1
 
 include parameters.inc
 include groups.inc
@@ -49,7 +49,7 @@ dump_modify mydmp backcolor white &
   acolor O red adiam O 2 &
   acolor H white adiam H 1 &
   acolor Na+ blue adiam Na+ 2.5 &
-  acolor Cl− cyan adiam Cl− 3 &
+  acolor Cl- cyan adiam Cl- 3 &
   acolor WALL gray adiam WALL 3
 
 run 0

files/tutorial4/solution/equilibrate.data

@@ -8,8 +8,8 @@ units real
 atom_style full
 bond_style harmonic
 angle_style harmonic
-pair_style lj/cut/tip4p/long O H O−H H−O−H 0.1546 12.0
-kspace_style pppm/tip4p 1.0e−5
+pair_style lj/cut/tip4p/long O H O-H H-O-H 0.1546 12.0
+kspace_style pppm/tip4p 1.0e-5
 kspace_modify slab 3.0
 
 read_data minimize.data
@@ -18,7 +18,7 @@ include parameters.inc
 include groups.inc
 
 fix mynvt all nvt temp 300 300 100
-fix myshk H2O shake 1.0e−5 200 0 b O−H a H−O−H
+fix myshk H2O shake 1.0e-5 200 0 b O-H a H-O-H
 fix myrct all recenter NULL NULL 0
 timestep 1.0
 
@@ -28,12 +28,12 @@ dump_modify mydmp backcolor white &
   acolor O red adiam O 2 &
   acolor H white adiam H 1 &
   acolor Na+ blue adiam Na+ 2.5 &
-  acolor Cl− cyan adiam Cl− 3 &
+  acolor Cl- cyan adiam Cl- 3 &
   acolor WALL gray adiam WALL 3
 
 variable walltopz equal xcm(walltop,z)
 variable wallbotz equal xcm(wallbot,z)
-variable deltaz equal v_walltopz−v_wallbotz
+variable deltaz equal v_walltopz-v_wallbotz
 
 thermo 250
 thermo_style custom step temp etotal press v_deltaz