From 2baa0b34521f43d401930cffbb1abda1042b51d1 Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Wed, 22 Aug 2018 03:32:17 -0600
Subject: [PATCH] nasty little bug
---
src/USER-MISC/fix_bond_react.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index d71a31f566..5ce1f11475 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -2101,7 +2101,7 @@ void FixBondReact::update_everything()
nspecial[atom->map(update_mega_glove[jj+1][i])][1]++;
nspecial[atom->map(update_mega_glove[jj+1][i])][2]++;
}
- for (int n = nspecial[atom->map(update_mega_glove[jj+1][i])][2]; n > insert_num; n--) {
+ for (int n = nspecial[atom->map(update_mega_glove[jj+1][i])][2]-1; n > insert_num; n--) {
special[atom->map(update_mega_glove[jj+1][i])][n] = special[atom->map(update_mega_glove[jj+1][i])][n-1];
}
special[atom->map(update_mega_glove[jj+1][i])][insert_num] = update_mega_glove[equivalences[twomol->special[j][k]-1][1][rxnID]][i];
--
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