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

This commit is contained in:
Axel Kohlmeyer 2017-06-20 17:53:45 -04:00
parent 15c596153a
commit 2988508cee
1 changed files with 2 additions and 2 deletions
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4
src/KSPACE/pair_lj_long_tip4p_long.cpp
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@ -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];