must initialize scale array entries when using mixed parameters

2020-08-03 08:01:13 -04:00
parent c171b2ceda
commit 69688bbc1a
1 changed files with 1 additions and 0 deletions
--- a/src/pair_ufm.cpp
+++ b/src/pair_ufm.cpp
@ -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);