diff --git a/src/KOKKOS/pair_kokkos.h b/src/KOKKOS/pair_kokkos.h index 6f48aa0266..da6bd11006 100644 --- a/src/KOKKOS/pair_kokkos.h +++ b/src/KOKKOS/pair_kokkos.h @@ -138,9 +138,9 @@ struct PairComputeFunctor { F_FLOAT fztmp = 0.0; if (NEIGHFLAG == FULL) { - a_f(i,0) = 0.0; - a_f(i,1) = 0.0; - a_f(i,2) = 0.0; + a_f(i,0) -= f(i,0); + a_f(i,1) -= f(i,1); + a_f(i,2) -= f(i,2); } for (int jj = 0; jj < jnum; jj++) { @@ -212,9 +212,9 @@ struct PairComputeFunctor { F_FLOAT fztmp = 0.0; if (NEIGHFLAG == FULL) { - a_f(i,0) = 0.0; - a_f(i,1) = 0.0; - a_f(i,2) = 0.0; + a_f(i,0) -= f(i,0); + a_f(i,1) -= f(i,1); + a_f(i,2) -= f(i,2); } for (int jj = 0; jj < jnum; jj++) {