adjust EES wall input example to print out some thermodynamic info that can be used for testing

examples/USER/misc/ees/Data_region

@@ -15,7 +15,7 @@ atom-ID atom-type ellipsoidflag density x y z
 
 Ellipsoids
 atom-ID shapex shapey shapez quatw quati quatj quatk
-1 14 6 8 0.89453 0.44700 0 0 
+1 14 6 8 0.89453 0.44700 0 0
 2 14 6 8 0.25755 0 0.96626 0
 3 14 6 8 0.95009 0 0 0.31197
 

examples/USER/misc/ees/Data_wall

@@ -8,12 +8,12 @@
 
 Atoms
 atom-ID atom-type ellipsoidflag density x y z
-1 1 1 1 30 30 30
+1 1 1 1 30 30 50
 
 
 Ellipsoids
 atom-ID shapex shapey shapez quatw quati quatj quatk
-1 14 6 8 0.44700 0 0.89453  0 
+1 14 6 8 0.44700 0 0.89453  0
 
 
 Velocities

examples/USER/misc/ees/in.fix_wall

@@ -10,9 +10,14 @@ pair_coeff 1 1 10.0 1.0 0.5 0.5 4 0.5 0.5 4 1
 timestep 0.0001
 #------------------------------------#
 
+compute temp all temp/asphere
+thermo_modify temp temp
+
 fix EES_substrate all wall/ees zhi EDGE 10 1 10 zlo EDGE 10 1 10
 #^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^#
 
+thermo_style custom step temp press etotal f_EES_substrate f_EES_substrate[1]
+
 fix NVT all nve/asphere
 #------------------------------------#
 compute qw all  property/atom quatw
@@ -20,6 +25,7 @@ compute qi all  property/atom quati
 compute qj all  property/atom quatj
 compute qk all  property/atom quatk
 #------------------------------------#
-dump 1 all custom 5000 dump1 id type x y z c_qw c_qi c_qj c_qk 
-run 2000000
+thermo 500
+dump 1 all custom 500 dump1 id type x y z c_qw c_qi c_qj c_qk 
+run 2000
 

examples/USER/misc/ees/in.fix_wall_region

@@ -15,6 +15,8 @@ timestep 0.0001
 fix EES_block all wall/region/ees the_wall 10. 1. 20
 #^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^#
 
+thermo_style custom step temp press etotal f_EES_block[1] f_EES_block[3]
+
 fix NVT all nve/asphere
 #------------------------------------#
 compute qw all  property/atom quatw
@@ -22,6 +24,7 @@ compute qi all  property/atom quati
 compute qj all  property/atom quatj
 compute qk all  property/atom quatk
 #------------------------------------#
-dump 1 all custom 5000 dump1 id type x y z c_qw c_qi c_qj c_qk 
-run 2000000
+thermo 500
+#dump 1 all custom 500 dump1 id type x y z c_qw c_qi c_qj c_qk 
+run 2000