Commit 974ca5ee authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1806 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 3ad56870

src/pair_lj_gromacs_coul_gromacs.cpp

+1 −1
Original line number Diff line number Diff line
@@ -447,7 +447,7 @@ double PairLJGromacsCoulGromacs::single(int i, int j, int itype, int jtype, 
      r = sqrt(rsq); 

      tc = r - cut_coul_inner;

      fswitchcoul =  force->qqrd2e * 

	atom->q[i]*atom->q[j] * r*tc*tc * (coulsw1 + coulsw2*tcoul);

	atom->q[i]*atom->q[j] * r*tc*tc * (coulsw1 + coulsw2*tc);

      forcecoul += fswitchcoul;

    }

  } else forcecoul = 0.0;

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