From 428ca8404279cabc54241d68671d254e98c405da Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 21 Dec 2007 15:05:18 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1270 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp b/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp index 6b4808f2d1..9b84a6c0f8 100644 --- a/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp @@ -77,7 +77,6 @@ void PairLJCutCoulLongTIP4P::compute(int eflag, int vflag) double r,r2inv,r6inv,forcecoul,forcelj,cforce,negforce; double factor_coul,factor_lj; double grij,expm2,prefactor,t,erfc; - double philj; int iH1,iH2,jH1,jH2; double xiM[3],xjM[3]; double *x1,*x2; @@ -179,7 +178,7 @@ void PairLJCutCoulLongTIP4P::compute(int eflag, int vflag) if (eflag) { evdwl = r6inv*(lj3[itype][jtype]*r6inv-lj4[itype][jtype]) - offset[itype][jtype]; - evdwl *= factor_lj*philj; + evdwl *= factor_lj; } } else evdwl = 0.0;