From 0bf07f466d6c5691c484f8438cbcf85e6b45f9a1 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 23 Aug 2013 14:29:56 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10661
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/KSPACE/pppm.cpp | 3 ++-
 src/angle.cpp       | 1 +
 src/bond.cpp        | 1 +
 src/dihedral.cpp    | 1 +
 src/improper.cpp    | 1 +
 5 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index 2423be4ed3..9b94ecdae1 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -232,7 +232,8 @@ void PPPM::init()
     int typeA = *p_typeA;
     int typeB = *p_typeB;
 
-    if (force->angle == NULL || force->bond == NULL)
+    if (force->angle == NULL || force->bond == NULL ||
+        force->angle->setflag == NULL || force->bond->setflag == NULL)
       error->all(FLERR,"Bond and angle potentials must be defined for TIP4P");
     if (typeA < 1 || typeA > atom->nangletypes ||
         force->angle->setflag[typeA] == 0)
diff --git a/src/angle.cpp b/src/angle.cpp
index 816e84997a..9c2e29188a 100644
--- a/src/angle.cpp
+++ b/src/angle.cpp
@@ -38,6 +38,7 @@ Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
   maxeatom = maxvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  setflag = NULL;
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
diff --git a/src/bond.cpp b/src/bond.cpp
index b375b6229b..941bb7e9a4 100644
--- a/src/bond.cpp
+++ b/src/bond.cpp
@@ -39,6 +39,7 @@ Bond::Bond(LAMMPS *lmp) : Pointers(lmp)
   maxeatom = maxvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  setflag = NULL;
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
diff --git a/src/dihedral.cpp b/src/dihedral.cpp
index 889a6c48d6..6f9f69ca06 100644
--- a/src/dihedral.cpp
+++ b/src/dihedral.cpp
@@ -39,6 +39,7 @@ Dihedral::Dihedral(LAMMPS *lmp) : Pointers(lmp)
   maxeatom = maxvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  setflag = NULL;
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;
diff --git a/src/improper.cpp b/src/improper.cpp
index 0c2ce290fd..f9dd99c5f2 100644
--- a/src/improper.cpp
+++ b/src/improper.cpp
@@ -36,6 +36,7 @@ Improper::Improper(LAMMPS *lmp) : Pointers(lmp)
   maxeatom = maxvatom = 0;
   eatom = NULL;
   vatom = NULL;
+  setflag = NULL;
 
   datamask = ALL_MASK;
   datamask_ext = ALL_MASK;