git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2016-06-06 23:21:39 +00:00
parent 1a52795e1d
commit 0f3e4182e8
67 changed files with 236 additions and 151 deletions
--- a/src/compute_gyration.cpp
+++ b/src/compute_gyration.cpp
@ -109,6 +109,7 @@ void ComputeGyration::compute_vector()
    }
  MPI_Allreduce(rg,vector,6,MPI_DOUBLE,MPI_SUM,world);

-  if (masstotal == 0.0) return;
-  for (int i = 0; i < 6; i++) vector[i] = vector[i]/masstotal;
+  if (masstotal > 0.0) 
+    for (int i = 0; i < 6; i++)
+      vector[i] /= masstotal;
 }