Commit 2988508c authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

correct indexing bug in pair style lj/long/tip4p/long

parent 15c59615

src/KSPACE/pair_lj_long_tip4p_long.cpp

+2 −2
Original line number Diff line number Diff line
@@ -1337,8 +1337,8 @@ void PairLJLongTIP4PLong::compute_outer(int eflag, int vflag) 
              fH[1] = 0.5 * alpha * fd[1];

              fH[2] = 0.5 * alpha * fd[2];



              xH1 = x[jH1];

              xH2 = x[jH2];

              xH1 = x[iH1];

              xH2 = x[iH2];

              v[0] = x[i][0]*fO[0] + xH1[0]*fH[0] + xH2[0]*fH[0];

              v[1] = x[i][1]*fO[1] + xH1[1]*fH[1] + xH2[1]*fH[1];

              v[2] = x[i][2]*fO[2] + xH1[2]*fH[2] + xH2[2]*fH[2];

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