Commit 4381db84 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

correct the bug discovered by stan due to uninitialized scale factors for... 

correct the bug discovered by stan due to uninitialized scale factors for eam/alloy/omp and eam/fs/omp
parent ab92529b

src/USER-OMP/pair_eam_alloy_omp.cpp

+1 −0
Original line number Diff line number Diff line
@@ -101,6 +101,7 @@ void PairEAMAlloyOMP::coeff(int narg, char **arg) 
        if (i == j) atom->set_mass(i,setfl->mass[map[i]]);

        count++;

      }

      scale[i][j] = 1.0;

    }

  }

src/USER-OMP/pair_eam_fs_omp.cpp

+1 −0
Original line number Diff line number Diff line
@@ -101,6 +101,7 @@ void PairEAMFSOMP::coeff(int narg, char **arg) 
        if (i == j) atom->set_mass(i,fs->mass[map[i]]);

        count++;

      }

      scale[i][j] = 1.0;

    }

  }

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