git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10864 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-10-14 22:01:32 +00:00
parent 506f47b0a5
commit 60d086bf65
3 changed files with 4 additions and 13 deletions
--- a/src/compute_msd.cpp
+++ b/src/compute_msd.cpp
@ -127,17 +127,7 @@ void ComputeMSD::init()

  // nmsd = # of atoms in group

-  int *mask = atom->mask;
-  int nlocal = atom->nlocal;
-
-  nmsd = 0;
-  for (int i = 0; i < nlocal; i++)
-    if (mask[i] & groupbit) nmsd++;
-
-  int nmsd_all;
-  MPI_Allreduce(&nmsd,&nmsd_all,1,MPI_INT,MPI_SUM,world);
-  nmsd = nmsd_all;
-
+  nmsd = group->count(igroup);
  masstotal = group->mass(igroup);
 }