diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp index f0c0b5272b00173c74403f54a2e24aa295222148..3baebfc8748c5820a4e0fb546033c0d494ed7f3b 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.cpp +++ b/src/USER-OMP/pair_eam_alloy_omp.cpp @@ -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; } } diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp index 5a104fde6d6e72cfab50f26aa853a291d7b29fc2..39f43590ca79bb4766be1b59b25aca45ee08e12f 100644 --- a/src/USER-OMP/pair_eam_fs_omp.cpp +++ b/src/USER-OMP/pair_eam_fs_omp.cpp @@ -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; } }