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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1270 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-12-21 15:05:18 +00:00
parent 399928b9af
commit 428ca84042
1 changed files with 1 additions and 2 deletions
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3
src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp
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@ -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;