git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11993 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-05-15 13:16:06 +00:00
parent 7c0f1a4ce5
commit bf8f07d85a
2 changed files with 2 additions and 2 deletions
--- a/src/compute_gyration.cpp
+++ b/src/compute_gyration.cpp
@ -109,5 +109,5 @@ 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] /= masstotal;
+  for (int i = 0; i < 6; i++) vector[i] = sqrt(vector[i]/masstotal);
 }