From e22f9c4768fb29f3dd0646ea303a623b79d15a74 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 30 Mar 2021 16:48:51 -0400
Subject: [PATCH] newton bond off does not work with atom style template
 currently

---
 src/neighbor.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index 0055678f41..68fa3ca96e 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -1363,6 +1363,10 @@ void Neighbor::init_topology()
   onoff = improper_off;
   MPI_Allreduce(&onoff,&improper_off,1,MPI_INT,MPI_MAX,world);
 
+  // newton_bond off is not supported with atom style template
+  if ((atom->molecular == Atom::TEMPLATE) && (force->newton_bond == 0))
+    error->all(FLERR,"Must use 'newton bond on' with atom style template");
+
   // instantiate NTopo classes
 
   if (atom->avec->bonds_allow) {