git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2016-06-02 14:08:20 +00:00
parent 01642458f0
commit 15068b6354
14 changed files with 193 additions and 36 deletions
--- a/src/compute_gyration.cpp
+++ b/src/compute_gyration.cpp
@ -57,6 +57,7 @@ double ComputeGyration::compute_scalar()
  invoked_scalar = update->ntimestep;

  double xcm[3];
+  if (group->dynamic[igroup]) masstotal = group->mass(igroup);
  group->xcm(igroup,masstotal,xcm);
  scalar = group->gyration(igroup,masstotal,xcm);
  return scalar;