From 20150c50a8dc314b596930558fed41d3c95a2a03 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 10 Jan 2013 15:44:14 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9257
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/KSPACE/pair_lj_long_coul_long.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp
index b7d5d930ff..a7c84c8802 100644
--- a/src/KSPACE/pair_lj_long_coul_long.cpp
+++ b/src/KSPACE/pair_lj_long_coul_long.cpp
@@ -820,7 +820,9 @@ void PairLJLongCoulLong::compute_outer(int eflag, int vflag)
       if ((rsq = vec_dot(d, d)) >= cutsqi[typej = type[j]]) continue;
       r2inv = 1.0/rsq;
 
-      if ((respa_flag = (rsq>cut_in_off_sq)&&(rsq<cut_in_on_sq))) {
+      frespa = 1.0;                                       // check whether and how to compute respa corrections
+      respa_flag = rsq < cut_in_on_sq ? 1 : 0;
+      if (respa_flag && (rsq > cut_in_off_sq)) {
         register double rsw = (sqrt(rsq)-cut_in_off)/cut_in_diff;
         frespa = rsw*rsw*(3.0-2.0*rsw);
       }
@@ -900,7 +902,7 @@ void PairLJLongCoulLong::compute_outer(int eflag, int vflag)
       else force_lj = respa_lj = evdwl = 0.0;
 
       fpair = (force_coul+force_lj)*r2inv;
-      frespa = fpair-(respa_coul+respa_lj)*r2inv;
+      frespa = respa_flag == 0 ? fpair :  fpair-(respa_coul+respa_lj)*r2inv;
 
       if (newton_pair || j < nlocal) {
         register double *fj = f0+(j+(j<<1)), f;