Unverified Commit 69688bbc authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

must initialize scale array entries when using mixed parameters

parent c171b2ce

src/pair_ufm.cpp

+1 −0
Original line number Diff line number Diff line
@@ -223,6 +223,7 @@ double PairUFM::init_one(int i, int j) 
                               sigma[i][i],sigma[j][j]);

    sigma[i][j] = mix_distance(sigma[i][i],sigma[j][j]);

    cut[i][j] = mix_distance(cut[i][i],cut[j][j]);

    scale[i][j] = 1.0;

  }



  uf1[i][j] = 2.0 * epsilon[i][j] / pow(sigma[i][j],2.0);

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