add two examples for regression testing

examples/wall/in.wall.block

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+
+units real
+
+molecule water tip3p.mol
+atom_style     full
+
+variable        radius equal 100.0
+region          box block $(-v_radius) $(v_radius) $(-v_radius) $(v_radius) $(-v_radius) $(v_radius)
+create_box 2 box bond/types 1 angle/types 1 &
+            extra/bond/per/atom 2 extra/angle/per/atom 1 extra/special/per/atom 2
+
+mass 1 15.9994
+mass 2 1.008
+
+bond_style zero
+bond_coeff 1 0.9574
+angle_style zero
+angle_coeff 1 104.52
+
+region block1 block -80 80 -80 80 -80 80
+region block2 block -70 70 -70 70 -70 70
+create_atoms 0 random 5000 12345 block2 mol water 12345 overlap 2
+
+thermo 1
+thermo_style custom step time spcpu temp press etotal pe
+
+fix wall all wall/region block1 harmonic 1000.0 0.0 2.5
+fix_modify wall energy yes
+
+pair_style lj/cut/coul/cut 8.0
+pair_coeff 1 1 0.1521 3.1507
+pair_coeff 2 2 0.0    1.0
+velocity all create 300.0 12345
+fix 1 all nvt temp 300 300 100.0
+fix 2 all shake 0.001 10 10000 b 1 a 1
+
+dump 2 all movie 10 wall.block.mpg type type size 1500 1500 fsaa yes
+dump_modify 2 pad 4 acolor * white/red/green/blue/aqua/magenta
+
+run             100

examples/wall/in.wall.sphere

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+
+units real
+
+molecule water tip3p.mol
+atom_style     full
+
+variable        radius equal 100.0
+region          box block $(-v_radius) $(v_radius) $(-v_radius) $(v_radius) $(-v_radius) $(v_radius)
+create_box 2 box bond/types 1 angle/types 1 &
+            extra/bond/per/atom 2 extra/angle/per/atom 1 extra/special/per/atom 2
+
+mass 1 15.9994
+mass 2 1.008
+
+bond_style zero
+bond_coeff 1 0.9574
+angle_style zero
+angle_coeff 1 104.52
+
+region sphere1 sphere 0 0 0 $(v_radius-10) side in
+region sphere2 sphere 0 0 0 $(v_radius-20) side in
+create_atoms 0 random 1000 12345 sphere2 mol water 12345 overlap 1.33
+
+thermo 1
+thermo_style custom step time spcpu temp press etotal pe
+
+fix wall all wall/region sphere1 harmonic 1000.0 0.0 2.5
+fix_modify wall energy yes
+
+pair_style lj/cut/coul/cut 8.0
+pair_coeff 1 1 0.1521 3.1507
+pair_coeff 2 2 0.0    1.0
+velocity all create 300.0 12345
+fix 1 all nvt temp 300 300 100.0
+fix 2 all shake 0.001 10 10000 b 1 a 1
+
+dump 2 all movie 10 wall.sphere.mpg type type size 1500 1500 fsaa yes
+dump_modify 2 pad 4 acolor * white/red/green/blue/aqua/magenta
+
+run             100

examples/wall/tip3p.mol

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+# Water molecule. TIP3P geometry
+
+3 atoms
+2 bonds
+1 angles
+
+Coords
+
+1    0.00000  -0.06556   0.00000
+2    0.75695   0.52032   0.00000
+3   -0.75695   0.52032   0.00000
+
+Types
+
+1        1
+2        2
+3        2
+
+Charges
+
+1       -0.834
+2        0.417
+3        0.417
+
+Bonds
+
+1   1      1      2
+2   1      1      3
+
+Angles
+
+1   1      2      1      3
+
+Shake Flags
+
+1 1
+2 1
+3 1
+
+Shake Atoms
+
+1 1 2 3
+2 1 2 3
+3 1 2 3
+
+Shake Bond Types
+
+1 1 1 1
+2 1 1 1
+3 1 1 1
+
+Special Bond Counts
+
+1 2 0 0
+2 1 1 0
+3 1 1 0
+
+Special Bonds
+
+1 2 3
+2 1 3
+3 1 2