bond/react: optional EdgeIDs take2

2018-06-26 20:40:02 -06:00
parent ebe622ff7d
commit 5c4bf8ac47
1 changed files with 1 additions and 1 deletions
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@ -265,7 +265,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
  memory->create(landlocked_atoms,max_natoms,nreacts,"bond/react:landlocked_atoms");

  for (int j = 0; j < nreacts; j++)
-    for (int i = 0; i < onemol->natoms; i++) edge[i][j] = 0;
+    for (int i = 0; i < max_natoms; i++) edge[i][j] = 0;

  // read all superimpose files afterward
  for (int i = 0; i < nreacts; i++) {