Updated fix reax/c/bonds command to remove time averaging. Update the...

Updated fix reax/c/bonds command to remove time averaging. Update the pair_coeff command to use chemical symbols instead of integers

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9561 f3b2605a-c512-4ea7-a41b-209d697bcdaa

examples/reax/AB/in.AB

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.AB
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.AB 1 4 3
+pair_coeff	* * ffield.reax.AB H B N
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/reax/Au_O/in.AuO

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.AuO
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.AuO 2 3
+pair_coeff	* * ffield.reax.AuO O Au
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/reax/CHO/in.CHO

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.CHO
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.cho 2 1 3
+pair_coeff	* * ffield.reax.cho H C O
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/reax/Fe_O_H/in.FeOH3

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.FeOH3
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.Fe_O_C_H 2 3 4
+pair_coeff	* * ffield.reax.Fe_O_C_H H O Fe
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/reax/RDX/in.RDX

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.RDX
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.rdx 2 1 3 4
+pair_coeff	* * ffield.reax.rdx H C O N
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/reax/V_O_H/in.VOH

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.VOH
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.V_O_C_H 2 1 3 4
+pair_coeff	* * ffield.reax.V_O_C_H H C O V
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/reax/Zn_O_H/in.ZnOH2

@@ -7,7 +7,7 @@ atom_style	charge
 read_data	data.ZnOH2
 
 pair_style	reax/c lmp_control
-pair_coeff	* * ffield.reax.ZnOH 1 2 3
+pair_coeff	* * ffield.reax.ZnOH H O Zn
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no