git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2007-10-03 16:22:30 +00:00
parent 92ff097469
commit 9be7620ace
96 changed files with 3347 additions and 3735 deletions
--- a/src/compute_ke_atom.cpp
+++ b/src/compute_ke_atom.cpp
@ -82,14 +82,15 @@ void ComputeKEAtom::compute_peratom()
      if (mask[i] & groupbit) {
 	ke[i] = 0.5 * mvv2e * mass[type[i]] *
 	  (v[i][0]*v[i][0] + v[i][1]*v[i][1] + v[i][2]*v[i][2]);
-      }
+      } else ke[i] = 0.0;
    }
+
  else
    for (int i = 0; i < nlocal; i++) {
      if (mask[i] & groupbit) {
 	ke[i] = 0.5 * mvv2e * rmass[i] *
 	  (v[i][0]*v[i][0] + v[i][1]*v[i][1] + v[i][2]*v[i][2]);
-      }
+      } else ke[i] = 0.0;
    }
 }