diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp index d2a6b801fc58d2f515b8fc3cf5c7adf16d0307c4..1dc1ca1cb451f0a09fa30e7925efae444bacd98f 100644 --- a/src/KSPACE/pair_lj_long_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp @@ -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];