Added atom jiggle to initial structure

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14000 f3b2605a-c512-4ea7-a41b-209d697bcdaa

examples/ELASTIC/in.elastic

@@ -85,6 +85,8 @@ variable d4 equal -(v_pyz1-${pyz0})/(v_delta/v_len0)*${cfac}
 variable d5 equal -(v_pxz1-${pxz0})/(v_delta/v_len0)*${cfac}
 variable d6 equal -(v_pxy1-${pxy0})/(v_delta/v_len0)*${cfac}
 
+displace_atoms all random ${atomjiggle} ${atomjiggle} ${atomjiggle} 87287 units box
+
 # Write restart
 unfix 3
 write_restart restart.equil

examples/ELASTIC/init.mod

@@ -6,6 +6,10 @@
 # variable to verify that results do not depend on it.
 variable up equal 1.0e-6
  
+# Define the amount of random jiggle for atoms
+# This prevents atoms from staying on saddle points
+variable atomjiggle equal 1.0e-5
+
 # Uncomment one of these blocks, depending on what units
 # you are using in LAMMPS and for output