From 7d9875fa64d3f126abbe2f9536b9083bdbe45d36 Mon Sep 17 00:00:00 2001
From: stamoor <stamoor@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 1 Jul 2015 15:51:02 +0000
Subject: [PATCH] Fixing small bug in Kokkos pair styles with long-range
 Coulombics

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13496 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
 src/KOKKOS/pair_buck_coul_long_kokkos.cpp      | 2 +-
 src/KOKKOS/pair_coul_long_kokkos.cpp           | 2 +-
 src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp | 2 +-
 src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp | 2 +-
 src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp    | 2 +-
 5 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.cpp b/src/KOKKOS/pair_buck_coul_long_kokkos.cpp
index 1f733ab3d7..3966b38043 100644
--- a/src/KOKKOS/pair_buck_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_buck_coul_long_kokkos.cpp
@@ -259,7 +259,7 @@ KOKKOS_INLINE_FUNCTION
 F_FLOAT PairBuckCoulLongKokkos<DeviceType>::
 compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,
               const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {
-  if(Specialisation::DoTable) {
+  if(Specialisation::DoTable && rsq > tabinnersq) {
     union_int_float_t rsq_lookup;
     rsq_lookup.f = rsq;
     const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;
diff --git a/src/KOKKOS/pair_coul_long_kokkos.cpp b/src/KOKKOS/pair_coul_long_kokkos.cpp
index 50cddc2c16..7d92b634d5 100644
--- a/src/KOKKOS/pair_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_coul_long_kokkos.cpp
@@ -213,7 +213,7 @@ KOKKOS_INLINE_FUNCTION
 F_FLOAT PairCoulLongKokkos<DeviceType>::
 compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,
               const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {
-  if(Specialisation::DoTable) {
+  if(Specialisation::DoTable && rsq > tabinnersq) {
     union_int_float_t rsq_lookup;
     rsq_lookup.f = rsq;
     const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;
diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
index 26119671fd..9dcc7ad565 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
@@ -277,7 +277,7 @@ KOKKOS_INLINE_FUNCTION
 F_FLOAT PairLJCharmmCoulLongKokkos<DeviceType>::
 compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,
               const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {
-  if(Specialisation::DoTable) {
+  if(Specialisation::DoTable && rsq > tabinnersq) {
     union_int_float_t rsq_lookup;
     rsq_lookup.f = rsq;
     const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;
diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
index 6bfba03b1b..3e530afa3f 100644
--- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
@@ -249,7 +249,7 @@ KOKKOS_INLINE_FUNCTION
 F_FLOAT PairLJClass2CoulLongKokkos<DeviceType>::
 compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,
               const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {
-  if(Specialisation::DoTable) {
+  if(Specialisation::DoTable && rsq > tabinnersq) {
     union_int_float_t rsq_lookup;
     rsq_lookup.f = rsq;
     const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;
diff --git a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
index 29e25305e6..590c890676 100644
--- a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
+++ b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
@@ -240,7 +240,7 @@ KOKKOS_INLINE_FUNCTION
 F_FLOAT PairLJCutCoulLongKokkos<DeviceType>::
 compute_ecoul(const F_FLOAT& rsq, const int& i, const int&j,
               const int& itype, const int& jtype, const F_FLOAT& factor_coul, const F_FLOAT& qtmp) const {
-  if(Specialisation::DoTable) {
+  if(Specialisation::DoTable && rsq > tabinnersq) {
     union_int_float_t rsq_lookup;
     rsq_lookup.f = rsq;
     const int itable = (rsq_lookup.i & ncoulmask) >> ncoulshiftbits;