enforce that Pair::map is always initialized

2024-09-13 05:34:40 -04:00
parent 97627bd77a
commit 3079d51eaf
1 changed files with 1 additions and 0 deletions
--- a/src/REAXFF/pair_reaxff.cpp
+++ b/src/REAXFF/pair_reaxff.cpp
@ -174,6 +174,7 @@ void PairReaxFF::allocate()
  memory->create(cutsq,n+1,n+1,"pair:cutsq");
  memory->create(cutghost,n+1,n+1,"pair:cutghost");
  map = new int[n+1];
+  for (int i = 0; i <= n; ++i) map[i] = -1;

  chi = new double[n+1];
  eta = new double[n+1];