Commit f9a9e27f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add error location propagation to atom->set_mass() and atom->check_mass()

parent 35753b8f

src/GPU/pair_eam_alloy_gpu.cpp

+1 −1
Original line number Diff line number Diff line
@@ -336,7 +336,7 @@ void PairEAMAlloyGPU::coeff(int narg, char **arg) 
    for (j = i; j <= n; j++) {

      if (map[i] >= 0 && map[j] >= 0) {

        setflag[i][j] = 1;

        if (i == j) atom->set_mass(i,setfl->mass[map[i]]);

        if (i == j) atom->set_mass(FLERR,i,setfl->mass[map[i]]);

        count++;

      }

    }

src/GPU/pair_eam_fs_gpu.cpp

+1 −1
Original line number Diff line number Diff line
@@ -336,7 +336,7 @@ void PairEAMFSGPU::coeff(int narg, char **arg) 
    for (j = i; j <= n; j++) {

      if (map[i] >= 0 && map[j] >= 0) {

        setflag[i][j] = 1;

        if (i == j) atom->set_mass(i,fs->mass[map[i]]);

        if (i == j) atom->set_mass(FLERR,i,fs->mass[map[i]]);

        count++;

      }

    }

src/KOKKOS/pair_eam_alloy_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -936,7 +936,7 @@ void PairEAMAlloyKokkos<DeviceType>::coeff(int narg, char **arg) 
    for (j = i; j <= n; j++) {

      if (map[i] >= 0 && map[j] >= 0) {

        setflag[i][j] = 1;

        if (i == j) atom->set_mass(i,setfl->mass[map[i]]);

        if (i == j) atom->set_mass(FLERR,i,setfl->mass[map[i]]);

        count++;

      }

    }

src/KOKKOS/pair_eam_fs_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -941,7 +941,7 @@ void PairEAMFSKokkos<DeviceType>::coeff(int narg, char **arg) 
    for (j = i; j <= n; j++) {

      if (map[i] >= 0 && map[j] >= 0) {

        setflag[i][j] = 1;

        if (i == j) atom->set_mass(i,fs->mass[map[i]]);

        if (i == j) atom->set_mass(FLERR,i,fs->mass[map[i]]);

        count++;

      }

    }

src/MANYBODY/pair_adp.cpp

+1 −1
Original line number Diff line number Diff line
@@ -493,7 +493,7 @@ void PairADP::coeff(int narg, char **arg) 
    for (j = i; j <= n; j++) {

      if (map[i] >= 0 && map[j] >= 0) {

        setflag[i][j] = 1;

        if (i == j) atom->set_mass(i,setfl->mass[map[i]]);

        if (i == j) atom->set_mass(FLERR,i,setfl->mass[map[i]]);

        count++;

      }

    }

CRA Git | Maintained and supported by SUSTech CRA and CCSE