From b6821ed94277eeda8b13f66763b4ce63fa688eb5 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 21 Feb 2018 11:15:09 +0100
Subject: [PATCH] since the code uses static ids, only one instance is allowed
at a time
---
src/USER-MISC/fix_bond_react.cpp | 4 ++++
1 file changed, 4 insertions(+)
diff --git a/src/USER-MISC/fix_bond_react.cpp b/src/USER-MISC/fix_bond_react.cpp
index b033f0f8af..b74168f2ac 100644
--- a/src/USER-MISC/fix_bond_react.cpp
+++ b/src/USER-MISC/fix_bond_react.cpp
@@ -85,6 +85,10 @@ Fix(lmp, narg, arg)
// these group names are reserved for use exclusively by bond/react
master_group = (char *) "bond_react_MASTER_group";
+ // by using fixed group names, only one instance of fix bond/react is allowed.
+ if (modify->find_fix_by_style("bond/react") != -1)
+ error->all(FLERR,"Only one instance of fix bond/react allowed at a time");
+
// let's find number of reactions specified
nreacts = 0;
for (int i = 3; i < narg; i++) {
--
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