git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3508 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2009-12-04 21:03:54 +00:00
parent 39edb1a6c2
commit 97cfbf8fb4
57 changed files with 272 additions and 232 deletions
--- a/src/compute_msd.cpp
+++ b/src/compute_msd.cpp
@ -124,7 +124,7 @@ void ComputeMSD::compute_vector()
  // relative to center of mass if comflag is set
  // for triclinic, need to unwrap current atom coord via h matrix

-  double **xoriginal = fix->vector_atom;
+  double **xoriginal = fix->array_atom;

  double **x = atom->x;
  int *mask = atom->mask;