From 4bc85f07e376ddd6a557bc3635663283cb3fb5be Mon Sep 17 00:00:00 2001
From: Steve Plimpton <sjplimp@sandia.gov>
Date: Mon, 20 Dec 2021 14:29:17 -0700
Subject: [PATCH] same changes in OPENMP and KOKKOS versions of angle class2

---
 src/KOKKOS/angle_class2_kokkos.cpp | 2 ++
 src/OPENMP/angle_class2_omp.cpp    | 2 ++
 2 files changed, 4 insertions(+)

diff --git a/src/KOKKOS/angle_class2_kokkos.cpp b/src/KOKKOS/angle_class2_kokkos.cpp
index 146e8b40ea..0bcc3ad458 100644
--- a/src/KOKKOS/angle_class2_kokkos.cpp
+++ b/src/KOKKOS/angle_class2_kokkos.cpp
@@ -241,6 +241,8 @@ void AngleClass2Kokkos<DeviceType>::operator()(TagAngleClass2Compute<NEWTON_BOND
 
   // force & energy for bond-angle term
 
+  const F_FLOAT dr1 = r1 - d_ba_r1[type];
+  const F_FLOAT dr2 = r2 - d_ba_r2[type];
   const F_FLOAT aa1 = s * dr1 * d_ba_k1[type];
   const F_FLOAT aa2 = s * dr2 * d_ba_k2[type];
 
diff --git a/src/OPENMP/angle_class2_omp.cpp b/src/OPENMP/angle_class2_omp.cpp
index 02ad63cd56..54aa062d44 100644
--- a/src/OPENMP/angle_class2_omp.cpp
+++ b/src/OPENMP/angle_class2_omp.cpp
@@ -175,6 +175,8 @@ void AngleClass2OMP::eval(int nfrom, int nto, ThrData * const thr)
 
     // force & energy for bond-angle term
 
+    dr1 = r1 - ba_r1[type];
+    dr2 = r2 - ba_r2[type];
     aa1 = s * dr1 * ba_k1[type];
     aa2 = s * dr2 * ba_k2[type];