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Stan Gerald Moore
2023-02-02 10:25:31 -07:00
parent 3d3bd0d7f2
commit c9b23b8a03
1 changed files with 1 additions and 1 deletions
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src/KOKKOS/meam_force_kokkos.h
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@ -446,7 +446,7 @@ KOKKOS_INLINE_FUNCTION void MEAMKokkos<DeviceType>::operator()(TagMEAMForce<NEIG
nv2 = 0; nv2 = 0;
for (n = 0; n < 3; n++) { for (n = 0; n < 3; n++) {
for (p = n; p < 3; p++) { for (p = n; p < 3; p++) {
arg = delij[n] * delij[p] * this->v2D[nv2]; arg = delij[n] * delij[p] * v2D[nv2];
drho3mdrm1[m] = drho3mdrm1[m] + d_arho3m(i, vind3D[m][n][p]) * arg; drho3mdrm1[m] = drho3mdrm1[m] + d_arho3m(i, vind3D[m][n][p]) * arg;
drho3mdrm2[m] = drho3mdrm2[m] + d_arho3m(j, vind3D[m][n][p]) * arg; drho3mdrm2[m] = drho3mdrm2[m] + d_arho3m(j, vind3D[m][n][p]) * arg;
nv2 = nv2 + 1; nv2 = nv2 + 1;