git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-01-25 22:46:08 +00:00
parent 2f6a46a2be
commit 0ce16af78b
63 changed files with 2943 additions and 798 deletions
--- a/src/compute_property_local.cpp
+++ b/src/compute_property_local.cpp
@ -212,6 +212,11 @@ ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) :

  // error check

+  if (atom->molecular == 2 && (kindflag == BOND || kindflag == ANGLE ||
+                               kindflag == DIHEDRAL || kindflag == IMPROPER))
+    error->all(FLERR,"Compute property/local does not (yet) work "
+               "with atom_style template");
+
  if (kindflag == BOND && atom->avec->bonds_allow == 0)
    error->all(FLERR,
               "Compute property/local for property that isn't allocated");