Added example of nphug

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6920 f3b2605a-c512-4ea7-a41b-209d697bcdaa

examples/prd/in.prd

@@ -3,6 +3,8 @@
 # run this on multiple partitions as
 #   mpirun -np 4 lmp_g++ -partition 4x1 -in in.prd
 
+#log             none
+
 units           metal
 
 atom_style      atomic
@@ -72,7 +74,7 @@ neigh_modify    every 1 delay 10 check yes
 
 # equilibrate
 
-run             1000
+run             100
 
 # only output atoms near vacancy
 

examples/reax/in.reax.rdx

@@ -32,11 +32,14 @@ neigh_modify	every 10 delay 0 check no
 
 fix		1 all nve
 
-thermo		10
+thermo		1
 thermo_style custom step temp epair etotal press v_eb v_ea v_elp v_emol v_ev v_epen v_ecoa v_ehb v_et v_eco v_ew v_ep v_efi v_eqeq
 
 timestep	1.0
 
-dump		1 all atom 10 dump.reax.rdx
+#dump		1 all atom 10 dump.reax.rdx
+dump            1 all custom 1 dump.reax.rdx id type q xs ys zs
+
+reset_timestep 1000
 
 run		100

examples/reax/in.reaxc.tatb

@@ -40,5 +40,7 @@ timestep	0.0625
 
 dump		1 all custom 100 dump.reax.tatb id type q x y z
 
+reset_timestep 1000
+
 run		25