diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index 1a5702eea2..b450de4a61 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -840,14 +840,14 @@ void PairReaxFFKokkos::compute(int eflag_in, int vflag_in) if (list_blocking_flag) { if (neighflag == HALF) - Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); + Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); else if (neighflag == HALFTHREAD) - Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); + Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); } else { if (neighflag == HALF) - Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); + Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); else if (neighflag == HALFTHREAD) - Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); + Kokkos::parallel_for(Kokkos::RangePolicy>(0,ignum),*this); } k_resize_bo.modify(); @@ -1606,7 +1606,7 @@ void PairReaxFFKokkos::operator()(TagPairReaxBuildListsHalfBlockingP int jj_current = 0; double cutoffsq; - if(i < nlocal) cutoffsq = MAX(cut_bosq,cut_hbsq); + if (i < nlocal) cutoffsq = MAX(cut_bosq,cut_hbsq); else cutoffsq = cut_bosq; while (jj_current < jnum) { @@ -1625,7 +1625,7 @@ void PairReaxFFKokkos::operator()(TagPairReaxBuildListsHalfBlockingP delij[2] = x(j,2) - ztmp; const F_FLOAT rsq = delij[0]*delij[0] + delij[1]*delij[1] + delij[2]*delij[2]; - if (rsq <= cutoffsq){ + if (rsq <= cutoffsq) { selected_jj[nnz] = jj_current; nnz++; } @@ -1809,7 +1809,6 @@ void PairReaxFFKokkos::operator()(TagPairReaxBuildListsHalf::operator()(TagPairReaxBuildListsHalf KOKKOS_INLINE_FUNCTION void PairReaxFFKokkos::operator()(TagPairReaxBuildListsHalfPreview, const int &ii) const { - const auto v_dDeltap_self = ScatterViewHelper,decltype(dup_dDeltap_self),decltype(ndup_dDeltap_self)>::get(dup_dDeltap_self,ndup_dDeltap_self); - const auto a_dDeltap_self = v_dDeltap_self.template access>(); - - const auto v_total_bo = ScatterViewHelper,decltype(dup_total_bo),decltype(ndup_total_bo)>::get(dup_total_bo,ndup_total_bo); - const auto a_total_bo = v_total_bo.template access>(); - const int i = d_ilist[ii]; const X_FLOAT xtmp = x(i,0); const X_FLOAT ytmp = x(i,1); @@ -1984,8 +1976,6 @@ void PairReaxFFKokkos::operator()(TagPairReaxBuildListsHalfPreview