diff --git a/src/KOKKOS/atom_kokkos.h b/src/KOKKOS/atom_kokkos.h index 6eebbad661..b554442b37 100644 --- a/src/KOKKOS/atom_kokkos.h +++ b/src/KOKKOS/atom_kokkos.h @@ -100,18 +100,18 @@ struct SortFunctor { dest(i) = source(index(i)); } void operator()(const typename std::enable_if::type& i) { - for(int j=0; j < (int)source.extent(1); j++) + for (int j=0; j < (int)source.extent(1); j++) dest(i,j) = source(index(i),j); } void operator()(const typename std::enable_if::type& i) { - for(int j=0; j < (int)source.extent(1); j++) - for(int k=0; k < (int)source.extent(2); k++) + for (int j=0; j < (int)source.extent(1); j++) + for (int k=0; k < (int)source.extent(2); k++) dest(i,j,k) = source(index(i),j,k); } void operator()(const typename std::enable_if::type& i) { - for(int j=0; j < (int)source.extent(1); j++) - for(int k=0; k < (int)source.extent(2); k++) - for(int l=0; l < (int)source.extent(3); l++) + for (int j=0; j < (int)source.extent(1); j++) + for (int k=0; k < (int)source.extent(2); k++) + for (int l=0; l < (int)source.extent(3); l++) dest(i,j,k,l) = source(index(i),j,k,l); } }; diff --git a/src/KOKKOS/atom_vec_kokkos.h b/src/KOKKOS/atom_vec_kokkos.h index 9fbf172535..f81b7715ad 100644 --- a/src/KOKKOS/atom_vec_kokkos.h +++ b/src/KOKKOS/atom_vec_kokkos.h @@ -178,7 +178,7 @@ class AtomVecKokkos : public AtomVec { } mirror_type tmp_view((typename ViewType::value_type*)buffer, src.d_view.layout()); - if(space == Device) { + if (space == Device) { Kokkos::deep_copy(LMPHostType(),tmp_view,src.h_view), Kokkos::deep_copy(LMPHostType(),src.d_view,tmp_view); src.clear_sync_state(); @@ -191,7 +191,7 @@ class AtomVecKokkos : public AtomVec { #else template void perform_async_copy(ViewType& src, unsigned int space) { - if(space == Device) + if (space == Device) src.template sync(); else src.template sync(); diff --git a/src/KOKKOS/memory_kokkos.h b/src/KOKKOS/memory_kokkos.h index 2f9e0cc375..445ecd87f2 100644 --- a/src/KOKKOS/memory_kokkos.h +++ b/src/KOKKOS/memory_kokkos.h @@ -92,7 +92,7 @@ void destroy_kokkos(TYPE data, typename TYPE::value_type* &array) template TYPE destroy_kokkos(TYPE &data) { - /*if(data.data()!=nullptr) + /*if (data.data()!=nullptr) free(data.data());*/ data = TYPE(); return data; @@ -173,7 +173,7 @@ TYPE create_kokkos(TYPE &data, typename TYPE::value_type **&array, bigint n = 0; for (int i = 0; i < n1; i++) { - if(n2==0) + if (n2==0) array[i] = nullptr; else array[i] = &data.h_view(i,0); @@ -194,7 +194,7 @@ template bigint n = 0; for (int i = 0; i < n1; i++) { - if(n2==0) + if (n2==0) array[i] = nullptr; else array[i] = &h_data(i,0); @@ -218,7 +218,7 @@ TYPE grow_kokkos(TYPE &data, typename TYPE::value_type **&array, array = (typename TYPE::value_type**) srealloc(array,nbytes,name); for (int i = 0; i < n1; i++) - if(n2==0) + if (n2==0) array[i] = nullptr; else array[i] = &data.h_view(i,0); @@ -235,7 +235,7 @@ TYPE create_kokkos(TYPE &data, typename TYPE::value_type **&array, array = (typename TYPE::value_type **) smalloc(nbytes,name); for (int i = 0; i < n1; i++) - if(data.h_view.extent(1)==0) + if (data.h_view.extent(1)==0) array[i] = nullptr; else array[i] = &data.h_view(i,0); @@ -255,7 +255,7 @@ TYPE grow_kokkos(TYPE &data, typename TYPE::value_type **&array, array = (typename TYPE::value_type **) smalloc(nbytes,name); for (int i = 0; i < n1; i++) - if(data.h_view.extent(1)==0) + if (data.h_view.extent(1)==0) array[i] = nullptr; else array[i] = &data.h_view(i,0); diff --git a/src/KOKKOS/nbin_ssa_kokkos.h b/src/KOKKOS/nbin_ssa_kokkos.h index cc98859913..a99e0d448c 100644 --- a/src/KOKKOS/nbin_ssa_kokkos.h +++ b/src/KOKKOS/nbin_ssa_kokkos.h @@ -108,20 +108,20 @@ class NBinSSAKokkos : public NBinStandard { if (y >= subhi_[1]) iy = 1; if (x < sublo_[0]) ix = -1; if (x >= subhi_[0]) ix = 1; - if(iz < 0){ + if (iz < 0){ return -1; - } else if(iz == 0){ - if( iy<0 ) return -1; // bottom left/middle/right - if( (iy==0) && (ix<0) ) return -1; // left atoms - if( (iy==0) && (ix==0) ) return 0; // Locally owned atoms - if( (iy==0) && (ix>0) ) return 2; // Right atoms - if( (iy>0) && (ix==0) ) return 1; // Top-middle atoms - if( (iy>0) && (ix!=0) ) return 3; // Top-right and top-left atoms + } else if (iz == 0){ + if (iy<0) return -1; // bottom left/middle/right + if ((iy==0) && (ix<0) ) return -1; // left atoms + if ((iy==0) && (ix==0)) return 0; // Locally owned atoms + if ((iy==0) && (ix>0) ) return 2; // Right atoms + if ((iy>0) && (ix==0)) return 1; // Top-middle atoms + if ((iy>0) && (ix!=0)) return 3; // Top-right and top-left atoms } else { // iz > 0 - if((ix==0) && (iy==0)) return 4; // Back atoms - if((ix==0) && (iy!=0)) return 5; // Top-back and bottom-back atoms - if((ix!=0) && (iy==0)) return 6; // Left-back and right-back atoms - if((ix!=0) && (iy!=0)) return 7; // Back corner atoms + if ((ix==0) && (iy==0)) return 4; // Back atoms + if ((ix==0) && (iy!=0)) return 5; // Top-back and bottom-back atoms + if ((ix!=0) && (iy==0)) return 6; // Left-back and right-back atoms + if ((ix!=0) && (iy!=0)) return 7; // Back corner atoms } return -2; } diff --git a/src/KOKKOS/pair_kokkos.h b/src/KOKKOS/pair_kokkos.h index cb55dd3141..7dc3e33f74 100644 --- a/src/KOKKOS/pair_kokkos.h +++ b/src/KOKKOS/pair_kokkos.h @@ -144,7 +144,7 @@ struct PairComputeFunctor { const int jtype = c.type(j); const F_FLOAT rsq = delx*delx + dely*dely + delz*delz; - if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { const F_FLOAT fpair = factor_lj*c.template compute_fpair(rsq,i,j,itype,jtype); @@ -213,13 +213,13 @@ struct PairComputeFunctor { const int jtype = c.type(j); const F_FLOAT rsq = delx*delx + dely*dely + delz*delz; - if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { F_FLOAT fpair = F_FLOAT(); - if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) + if (rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) fpair+=factor_lj*c.template compute_fpair(rsq,i,j,itype,jtype); - if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) + if (rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) fpair+=c.template compute_fcoul(rsq,i,j,itype,jtype,factor_coul,qtmp); fxtmp += delx*fpair; @@ -236,11 +236,11 @@ struct PairComputeFunctor { F_FLOAT evdwl = 0.0; F_FLOAT ecoul = 0.0; if (c.eflag) { - if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) { evdwl = factor_lj * c.template compute_evdwl(rsq,i,j,itype,jtype); ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j(rsq,i,j,itype,jtype,factor_coul,qtmp); ev.ecoul += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j(rsq,i,j,itype,jtype); @@ -351,13 +351,13 @@ struct PairComputeFunctor { const int jtype = c.type(j); const F_FLOAT rsq = delx*delx + dely*dely + delz*delz; - if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { F_FLOAT fpair = F_FLOAT(); - if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) + if (rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) fpair+=factor_lj*c.template compute_fpair(rsq,i,j,itype,jtype); - if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) + if (rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) fpair+=c.template compute_fcoul(rsq,i,j,itype,jtype,factor_coul,qtmp); ftmp.x += delx*fpair; @@ -413,7 +413,7 @@ struct PairComputeFunctor { const int jtype = c.type(j); const F_FLOAT rsq = delx*delx + dely*dely + delz*delz; - if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { const F_FLOAT fpair = factor_lj*c.template compute_fpair(rsq,i,j,itype,jtype); @@ -510,13 +510,13 @@ struct PairComputeFunctor { const int jtype = c.type(j); const F_FLOAT rsq = delx*delx + dely*dely + delz*delz; - if(rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cutsq[itype][jtype]:c.d_cutsq(itype,jtype))) { F_FLOAT fpair = F_FLOAT(); - if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) + if (rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) fpair+=factor_lj*c.template compute_fpair(rsq,i,j,itype,jtype); - if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) + if (rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) fpair+=c.template compute_fcoul(rsq,i,j,itype,jtype,factor_coul,qtmp); fev_tmp.f[0] += delx*fpair; @@ -526,11 +526,11 @@ struct PairComputeFunctor { F_FLOAT evdwl = 0.0; F_FLOAT ecoul = 0.0; if (c.eflag) { - if(rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cut_ljsq[itype][jtype]:c.d_cut_ljsq(itype,jtype))) { evdwl = factor_lj * c.template compute_evdwl(rsq,i,j,itype,jtype); fev_tmp.evdwl += 0.5*evdwl; } - if(rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) { + if (rsq < (STACKPARAMS?c.m_cut_coulsq[itype][jtype]:c.d_cut_coulsq(itype,jtype))) { ecoul = c.template compute_ecoul(rsq,i,j,itype,jtype,factor_coul,qtmp); fev_tmp.ecoul += 0.5*ecoul; } @@ -722,7 +722,7 @@ int GetTeamSize(FunctorStyle& KOKKOS_GPU_ARG(functor), int KOKKOS_GPU_ARG(inum), else team_size_max = Kokkos::TeamPolicy<>(inum,Kokkos::AUTO).team_size_max(functor,Kokkos::ParallelForTag()); - if(team_size*vector_length > team_size_max) + if (team_size*vector_length > team_size_max) team_size = team_size_max/vector_length; #else team_size = 1; @@ -743,7 +743,7 @@ EV_FLOAT pair_compute_neighlist (PairStyle* fpair, typename std::enable_if<(NEIG int vector_length = 8; int atoms_per_team = 32; - if(fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) { + if (fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) { PairComputeFunctor ff(fpair,list); atoms_per_team = GetTeamSize(ff, list->inum, (fpair->eflag || fpair->vflag), atoms_per_team, vector_length); Kokkos::TeamPolicy > policy(list->inum,atoms_per_team,vector_length); @@ -757,7 +757,7 @@ EV_FLOAT pair_compute_neighlist (PairStyle* fpair, typename std::enable_if<(NEIG else Kokkos::parallel_for(policy,ff); } } else { - if(fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) { + if (fpair->atom->ntypes > MAX_TYPES_STACKPARAMS) { PairComputeFunctor ff(fpair,list); if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(list->inum,ff,ev); else Kokkos::parallel_for(list->inum,ff); diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index da99cbd52a..cf4d5851b6 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -1323,7 +1323,7 @@ void PairSNAPKokkos::check_team_size_for(i team_size_max = Kokkos::TeamPolicy(inum,Kokkos::AUTO).team_size_max(*this,Kokkos::ParallelForTag()); - if(team_size*vector_length > team_size_max) + if (team_size*vector_length > team_size_max) team_size = team_size_max/vector_length; } @@ -1334,7 +1334,7 @@ void PairSNAPKokkos::check_team_size_reduc team_size_max = Kokkos::TeamPolicy(inum,Kokkos::AUTO).team_size_max(*this,Kokkos::ParallelReduceTag()); - if(team_size*vector_length > team_size_max) + if (team_size*vector_length > team_size_max) team_size = team_size_max/vector_length; } diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h index 23c1670bd8..d7aabb22c8 100644 --- a/src/KOKKOS/sna_kokkos_impl.h +++ b/src/KOKKOS/sna_kokkos_impl.h @@ -67,7 +67,7 @@ SNAKokkos::SNAKokkos(real_type rfac0_in, auto h_bzero = Kokkos::create_mirror_view(bzero); double www = wself*wself*wself; - for(int j = 0; j <= twojmax; j++) + for (int j = 0; j <= twojmax; j++) if (bnorm_flag) h_bzero[j] = www; else @@ -95,9 +95,9 @@ void SNAKokkos::build_indexlist() auto h_idxcg_block = Kokkos::create_mirror_view(idxcg_block); int idxcg_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { h_idxcg_block(j1,j2,j) = idxcg_count; for (int m1 = 0; m1 <= j1; m1++) for (int m2 = 0; m2 <= j2; m2++) @@ -114,10 +114,10 @@ void SNAKokkos::build_indexlist() int idxu_count = 0; - for(int j = 0; j <= twojmax; j++) { + for (int j = 0; j <= twojmax; j++) { h_idxu_block[j] = idxu_count; - for(int mb = 0; mb <= j; mb++) - for(int ma = 0; ma <= j; ma++) + for (int mb = 0; mb <= j; mb++) + for (int ma = 0; ma <= j; ma++) idxu_count++; } idxu_max = idxu_count; @@ -128,10 +128,10 @@ void SNAKokkos::build_indexlist() auto h_idxu_half_block = Kokkos::create_mirror_view(idxu_half_block); int idxu_half_count = 0; - for(int j = 0; j <= twojmax; j++) { + for (int j = 0; j <= twojmax; j++) { h_idxu_half_block[j] = idxu_half_count; - for(int mb = 0; 2*mb <= j; mb++) - for(int ma = 0; ma <= j; ma++) + for (int mb = 0; 2*mb <= j; mb++) + for (int ma = 0; ma <= j; ma++) idxu_half_count++; } idxu_half_max = idxu_half_count; @@ -142,10 +142,10 @@ void SNAKokkos::build_indexlist() auto h_idxu_full_half = Kokkos::create_mirror_view(idxu_full_half); idxu_count = 0; - for(int j = 0; j <= twojmax; j++) { + for (int j = 0; j <= twojmax; j++) { int jju_half = h_idxu_half_block[j]; - for(int mb = 0; mb <= j; mb++) { - for(int ma = 0; ma <= j; ma++) { + for (int mb = 0; mb <= j; mb++) { + for (int ma = 0; ma <= j; ma++) { FullHalfMapper mapper; if (2*mb <= j) { mapper.idxu_half = jju_half + mb * (j + 1) + ma; @@ -169,9 +169,9 @@ void SNAKokkos::build_indexlist() auto h_idxu_cache_block = Kokkos::create_mirror_view(idxu_cache_block); int idxu_cache_count = 0; - for(int j = 0; j <= twojmax; j++) { + for (int j = 0; j <= twojmax; j++) { h_idxu_cache_block[j] = idxu_cache_count; - for(int mb = 0; mb < ((j+3)/2); mb++) + for (int mb = 0; mb < ((j+3)/2); mb++) for (int ma = 0; ma <= j; ma++) idxu_cache_count++; } @@ -181,9 +181,9 @@ void SNAKokkos::build_indexlist() // index list for beta and B int idxb_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) if (j >= j1) idxb_count++; idxb_max = idxb_count; @@ -191,9 +191,9 @@ void SNAKokkos::build_indexlist() auto h_idxb = Kokkos::create_mirror_view(idxb); idxb_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) if (j >= j1) { h_idxb(idxb_count,0) = j1; h_idxb(idxb_count,1) = j2; @@ -208,9 +208,9 @@ void SNAKokkos::build_indexlist() auto h_idxb_block = Kokkos::create_mirror_view(idxb_block); idxb_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { if (j >= j1) { h_idxb_block(j1,j2,j) = idxb_count; idxb_count++; @@ -222,9 +222,9 @@ void SNAKokkos::build_indexlist() int idxz_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) for (int mb = 0; 2*mb <= j; mb++) for (int ma = 0; ma <= j; ma++) idxz_count++; @@ -237,9 +237,9 @@ void SNAKokkos::build_indexlist() auto h_idxz_block = Kokkos::create_mirror_view(idxz_block); idxz_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { h_idxz_block(j1,j2,j) = idxz_count; // find right beta(ii,jjb) entry @@ -286,7 +286,7 @@ template inline void SNAKokkos::grow_rij(int newnatom, int newnmax) { - if(newnatom <= natom && newnmax <= nmax) return; + if (newnatom <= natom && newnmax <= nmax) return; natom = newnatom; nmax = newnmax; @@ -644,7 +644,7 @@ void SNAKokkos::compute_zi(const int& iato #ifdef LMP_KK_DEVICE_COMPILE #pragma unroll #endif - for(int ib = 0; ib < nb; ib++) { + for (int ib = 0; ib < nb; ib++) { int ma1 = ma1min; int ma2 = ma2max; @@ -653,7 +653,7 @@ void SNAKokkos::compute_zi(const int& iato #ifdef LMP_KK_DEVICE_COMPILE #pragma unroll #endif - for(int ia = 0; ia < na; ia++) { + for (int ia = 0; ia < na; ia++) { const auto utot1 = ulisttot_pack(iatom_mod, jju1+ma1, elem1, iatom_div); const auto utot2 = ulisttot_pack(iatom_mod, jju2+ma2, elem2, iatom_div); const auto cgcoeff_a = cgblock[icga]; @@ -717,8 +717,8 @@ void SNAKokkos::compute_bi(const int& iato double sumzu = 0.0; double sumzu_temp = 0.0; - for(int mb = 0; 2*mb < j; mb++) { - for(int ma = 0; ma <= j; ma++) { + for (int mb = 0; 2*mb < j; mb++) { + for (int ma = 0; ma <= j; ma++) { const int jju_index = jju+mb*(j+1)+ma; const int jjz_index = jjz+mb*(j+1)+ma; if (2*mb == j) return; // I think we can remove this? @@ -734,7 +734,7 @@ void SNAKokkos::compute_bi(const int& iato sumzu_temp = 0.; const int mb = j/2; - for(int ma = 0; ma < mb; ma++) { + for (int ma = 0; ma < mb; ma++) { const int jju_index = jju+(mb-1)*(j+1)+(j+1)+ma; const int jjz_index = jjz+(mb-1)*(j+1)+(j+1)+ma; @@ -1161,7 +1161,7 @@ void SNAKokkos::compute_zi_cpu(const int& int jju1 = idxu_block[j1] + (j1+1)*mb1min; int jju2 = idxu_block[j2] + (j2+1)*mb2max; int icgb = mb1min*(j2+1) + mb2max; - for(int ib = 0; ib < nb; ib++) { + for (int ib = 0; ib < nb; ib++) { real_type suma1_r = static_cast(0.0); real_type suma1_i = static_cast(0.0); @@ -1169,7 +1169,7 @@ void SNAKokkos::compute_zi_cpu(const int& int ma1 = ma1min; int ma2 = ma2max; int icga = ma1min * (j2 + 1) + ma2max; - for(int ia = 0; ia < na; ia++) { + for (int ia = 0; ia < na; ia++) { suma1_r += cgblock[icga] * (ulisttot_full(jju1+ma1, elem1, iatom).re * ulisttot_full(jju2+ma2, elem2, iatom).re - ulisttot_full(jju1+ma1, elem1, iatom).im * ulisttot_full(jju2+ma2, elem2, iatom).im); suma1_i += cgblock[icga] * (ulisttot_full(jju1+ma1, elem1, iatom).re * ulisttot_full(jju2+ma2, elem2, iatom).im + @@ -1222,7 +1222,6 @@ void SNAKokkos::compute_bi_cpu(const typen for (int elem3 = 0; elem3 < nelements; elem3++) { Kokkos::parallel_for(Kokkos::TeamThreadRange(team,idxb_max), [&] (const int& jjb) { - //for(int jjb = 0; jjb < idxb_max; jjb++) { const int j1 = idxb(jjb, 0); const int j2 = idxb(jjb, 1); const int j = idxb(jjb, 2); @@ -1234,8 +1233,6 @@ void SNAKokkos::compute_bi_cpu(const typen const int bound = (j+2)/2; Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,(j+1)*bound), [&] (const int mbma, real_type& sum) { - //for(int mb = 0; 2*mb < j; mb++) - //for(int ma = 0; ma <= j; ma++) { const int ma = mbma % (j + 1); const int mb = mbma / (j + 1); const int jju_index = jju + mb * (j + 1) + ma; @@ -1253,7 +1250,6 @@ void SNAKokkos::compute_bi_cpu(const typen const int mb = j/2; Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team, mb), [&] (const int ma, real_type& sum) { - //for(int ma = 0; ma < mb; ma++) { const int jju_index = jju+(mb-1)*(j+1)+(j+1)+ma; const int jjz_index = jjz+(mb-1)*(j+1)+(j+1)+ma; sum += @@ -1449,14 +1445,13 @@ void SNAKokkos::compute_deidrj_cpu(const t t_scalar3 final_sum; const int jelem = element(iatom, jnbor); - //for(int j = 0; j <= twojmax; j++) { Kokkos::parallel_reduce(Kokkos::ThreadVectorRange(team,twojmax+1), [&] (const int& j, t_scalar3& sum_tmp) { int jju_half = idxu_half_block[j]; int jju_cache = idxu_cache_block[j]; - for(int mb = 0; 2*mb < j; mb++) - for(int ma = 0; ma <= j; ma++) { + for (int mb = 0; 2*mb < j; mb++) + for (int ma = 0; ma <= j; ma++) { sum_tmp.x += dulist(jju_cache,iatom,jnbor,0).re * ylist(jju_half,jelem,iatom).re + dulist(jju_cache,iatom,jnbor,0).im * ylist(jju_half,jelem,iatom).im; sum_tmp.y += dulist(jju_cache,iatom,jnbor,1).re * ylist(jju_half,jelem,iatom).re + @@ -1471,7 +1466,7 @@ void SNAKokkos::compute_deidrj_cpu(const t if (j%2 == 0) { int mb = j/2; - for(int ma = 0; ma < mb; ma++) { + for (int ma = 0; ma < mb; ma++) { sum_tmp.x += dulist(jju_cache,iatom,jnbor,0).re * ylist(jju_half,jelem,iatom).re + dulist(jju_cache,iatom,jnbor,0).im * ylist(jju_half,jelem,iatom).im; sum_tmp.y += dulist(jju_cache,iatom,jnbor,1).re * ylist(jju_half,jelem,iatom).re + @@ -2015,9 +2010,9 @@ void SNAKokkos::init_clebsch_gordan() int ifac; int idxcg_count = 0; - for(int j1 = 0; j1 <= twojmax; j1++) - for(int j2 = 0; j2 <= j1; j2++) - for(int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { + for (int j1 = 0; j1 <= twojmax; j1++) + for (int j2 = 0; j2 <= j1; j2++) + for (int j = j1 - j2; j <= MIN(twojmax, j1 + j2); j += 2) { for (int m1 = 0; m1 <= j1; m1++) { aa2 = 2 * m1 - j1; @@ -2028,7 +2023,7 @@ void SNAKokkos::init_clebsch_gordan() bb2 = 2 * m2 - j2; m = (aa2 + bb2 + j) / 2; - if(m < 0 || m > j) { + if (m < 0 || m > j) { h_cglist[idxcg_count] = 0.0; idxcg_count++; continue; @@ -2120,8 +2115,8 @@ real_type SNAKokkos::compute_sfac(real_typ constexpr real_type onehalf = static_cast(0.5); if (switch_flag == 0) return one; if (switch_flag == 1) { - if(r <= rmin0) return one; - else if(r > rcut) return zero; + if (r <= rmin0) return one; + else if (r > rcut) return zero; else { auto rcutfac = static_cast(MY_PI) / (rcut - rmin0); return onehalf * (cos((r - rmin0) * rcutfac) + one); @@ -2140,8 +2135,8 @@ real_type SNAKokkos::compute_dsfac(real_ty constexpr real_type onehalf = static_cast(0.5); if (switch_flag == 0) return zero; if (switch_flag == 1) { - if(r <= rmin0) return zero; - else if(r > rcut) return zero; + if (r <= rmin0) return zero; + else if (r > rcut) return zero; else { auto rcutfac = static_cast(MY_PI) / (rcut - rmin0); return -onehalf * sin((r - rmin0) * rcutfac) * rcutfac; diff --git a/src/MANYBODY/pair_eam_cd.h b/src/MANYBODY/pair_eam_cd.h index 8f306d1019..4d938aad10 100644 --- a/src/MANYBODY/pair_eam_cd.h +++ b/src/MANYBODY/pair_eam_cd.h @@ -60,7 +60,7 @@ public: // Evaluates the h(x) polynomial for a given local concentration x. inline double evalH(double x) const { double v = 0.0; - for(int i = nhcoeff-1; i >= 1; i--) { + for (int i = nhcoeff-1; i >= 1; i--) { v = (v + hcoeff[i]) * x; } return v + hcoeff[0]; @@ -69,7 +69,7 @@ public: // Calculates the derivative of the h(x) polynomial. inline double evalHprime(double x) const { double v = 0.0; - for(int i = nhcoeff-1; i >= 2; i--) { + for (int i = nhcoeff-1; i >= 2; i--) { v = (v + (double)i * hcoeff[i]) * x; } return v + hcoeff[1]; diff --git a/src/USER-CGDNA/mf_oxdna.h b/src/USER-CGDNA/mf_oxdna.h index e4ed1bbd03..00df53234d 100644 --- a/src/USER-CGDNA/mf_oxdna.h +++ b/src/USER-CGDNA/mf_oxdna.h @@ -96,13 +96,13 @@ inline double MFOxdna::F2(double r, double k, double cut_0, double cut_lc, double b_lo, double b_hi, double cut_c) { - if(r < cut_lc || r > cut_hc){ + if (r < cut_lc || r > cut_hc){ return 0; } - else if(r < cut_lo){ + else if (r < cut_lo){ return k * b_lo * (cut_lc - r)*(cut_lc-r); } - else if(r < cut_hi){ + else if (r < cut_hi){ return k * 0.5 * ((r - cut_0)*(r-cut_0) - (cut_0 - cut_c)*(cut_0 - cut_c)); } else{ @@ -118,13 +118,13 @@ inline double MFOxdna::DF2(double r, double k, double cut_0, double cut_lc, double cut_hc, double cut_lo, double cut_hi, double b_lo, double b_hi) { - if(r < cut_lc || r > cut_hc){ + if (r < cut_lc || r > cut_hc){ return 0; } - else if(r < cut_lo){ + else if (r < cut_lo){ return 2*k * b_lo * (r - cut_lc); } - else if(r < cut_hi){ + else if (r < cut_hi){ return k * (r - cut_0); } else{ @@ -171,7 +171,7 @@ inline double MFOxdna::F4(double theta, double a, double theta_0, else if (dtheta > dtheta_ast) { return b * (dtheta-dtheta_c)*(dtheta-dtheta_c); } - else if(dtheta > -dtheta_ast) { + else if (dtheta > -dtheta_ast) { return 1 - a * dtheta*dtheta; } else { @@ -235,13 +235,13 @@ inline double MFOxdna::F5(double x, double a, double x_ast, inline double MFOxdna::DF5(double x, double a, double x_ast, double b, double x_c) { - if(x >= 0) { + if (x >= 0) { return 0.0; } else if (x > x_ast) { return -2 * a * x; } - else if(x > x_c) { + else if (x > x_c) { return 2 * b * (x-x_c); } else { diff --git a/src/USER-DPD/random_external_state.h b/src/USER-DPD/random_external_state.h index de017ee8bd..e7d11a5926 100644 --- a/src/USER-DPD/random_external_state.h +++ b/src/USER-DPD/random_external_state.h @@ -141,9 +141,9 @@ namespace random_external_state { // RNGs with k calls to genNextParallelState() LAMMPS_INLINE void es_init(es_RNG_t &serial_state, uint64_t seed) { - if(seed==0) seed = uint64_t(1318319); + if (seed==0) seed = uint64_t(1318319); serial_state = seed; - for(int i = 0; i < 17; i++) es_rand(serial_state); + for (int i = 0; i < 17; i++) es_rand(serial_state); } // Call genNextParallelState() once for each RNG to generate diff --git a/src/USER-MANIFOLD/manifold.h b/src/USER-MANIFOLD/manifold.h index 9adf7055c7..7c3197e161 100644 --- a/src/USER-MANIFOLD/manifold.h +++ b/src/USER-MANIFOLD/manifold.h @@ -77,17 +77,17 @@ namespace user_manifold { // Some utility functions that are templated, so I implement them // here in the header. template< unsigned int size > inline - double infnorm( double *vect ) + double infnorm(double *vect) { double largest = fabs( vect[0] ); - for( unsigned int i = 1; i < size; ++i ){ + for (unsigned int i = 1; i < size; ++i){ double c = fabs( vect[i] ); largest = ( c > largest ) ? c : largest; } return largest; } - inline double dot( double *a, double *b ){ + inline double dot(double *a, double *b){ return a[0]*b[0] + a[1]*b[1] + a[2]*b[2]; } diff --git a/src/USER-MANIFOLD/manifold_factory.h b/src/USER-MANIFOLD/manifold_factory.h index 1eac8bf644..cc23874eba 100644 --- a/src/USER-MANIFOLD/manifold_factory.h +++ b/src/USER-MANIFOLD/manifold_factory.h @@ -93,8 +93,8 @@ class manifold; void make_manifold_if( manifold **man_ptr, const char *name, LAMMPS *lmp, int narg, char **arg ) { - if( strcmp( m_type::type(), name ) == 0 ){ - if( *man_ptr == nullptr ){ + if ( strcmp( m_type::type(), name ) == 0 ){ + if ( *man_ptr == nullptr ){ *man_ptr = new m_type(lmp, narg, arg); } } diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.h b/src/USER-MISC/pair_ilp_graphene_hbn.h index 5ca8eb64a7..aadb792cad 100644 --- a/src/USER-MISC/pair_ilp_graphene_hbn.h +++ b/src/USER-MISC/pair_ilp_graphene_hbn.h @@ -82,7 +82,7 @@ class PairILPGrapheneHBN : public Pair { double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0}; r = r_ij/Rcut; - if(r >= 1.0) {Tap = 0.0;} + if (r >= 1.0) {Tap = 0.0;} else { Tap = Tap_coeff[7] * r + Tap_coeff[6]; Tap = Tap * r + Tap_coeff[5]; @@ -101,7 +101,7 @@ class PairILPGrapheneHBN : public Pair { double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0}; r = r_ij/Rcut; - if(r >= 1.0) {dTap = 0.0;} + if (r >= 1.0) {dTap = 0.0;} else { dTap = 7.0*Tap_coeff[7] * r + 6.0*Tap_coeff[6]; dTap = dTap * r + 5.0*Tap_coeff[5]; diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.h b/src/USER-MISC/pair_kolmogorov_crespi_full.h index c579788110..f7d9237be4 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_full.h +++ b/src/USER-MISC/pair_kolmogorov_crespi_full.h @@ -84,7 +84,7 @@ class PairKolmogorovCrespiFull : public Pair { double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0}; r = r_ij/Rcut; - if(r >= 1.0) {Tap = 0.0;} + if (r >= 1.0) {Tap = 0.0;} else{ Tap = Tap_coeff[7] * r + Tap_coeff[6]; Tap = Tap * r + Tap_coeff[5]; @@ -104,7 +104,7 @@ class PairKolmogorovCrespiFull : public Pair { double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0}; r = r_ij/Rcut; - if(r >= 1.0) {dTap = 0.0;} + if (r >= 1.0) {dTap = 0.0;} else { dTap = 7.0*Tap_coeff[7] * r + 6.0*Tap_coeff[6]; dTap = dTap * r + 5.0*Tap_coeff[5]; diff --git a/src/USER-MISC/pair_meam_spline.h b/src/USER-MISC/pair_meam_spline.h index 31be826d0d..d1dc5064f5 100644 --- a/src/USER-MISC/pair_meam_spline.h +++ b/src/USER-MISC/pair_meam_spline.h @@ -118,10 +118,10 @@ protected: inline double eval(double x) const { x -= xmin; - if(x <= 0.0) { // Left extrapolation. + if (x <= 0.0) { // Left extrapolation. return Y[0] + deriv0 * x; } - else if(x >= xmax_shifted) { // Right extrapolation. + else if (x >= xmax_shifted) { // Right extrapolation. return Y[N-1] + derivN * (x - xmax_shifted); } else { @@ -131,7 +131,7 @@ protected: int khi = N-1; while(khi - klo > 1) { int k = (khi + klo) / 2; - if(Xs[k] > x) khi = k; + if (Xs[k] > x) khi = k; else klo = k; } double h = Xs[khi] - Xs[klo]; @@ -156,11 +156,11 @@ protected: inline double eval(double x, double& deriv) const { x -= xmin; - if(x <= 0.0) { // Left extrapolation. + if (x <= 0.0) { // Left extrapolation. deriv = deriv0; return Y[0] + deriv0 * x; } - else if(x >= xmax_shifted) { // Right extrapolation. + else if (x >= xmax_shifted) { // Right extrapolation. deriv = derivN; return Y[N-1] + derivN * (x - xmax_shifted); } @@ -171,7 +171,7 @@ protected: int khi = N-1; while(khi - klo > 1) { int k = (khi + klo) / 2; - if(Xs[k] > x) khi = k; + if (Xs[k] > x) khi = k; else klo = k; } double h = Xs[khi] - Xs[klo]; diff --git a/src/USER-MISC/pair_meam_sw_spline.h b/src/USER-MISC/pair_meam_sw_spline.h index 1fd59b34a5..7b40d123ed 100644 --- a/src/USER-MISC/pair_meam_sw_spline.h +++ b/src/USER-MISC/pair_meam_sw_spline.h @@ -106,10 +106,10 @@ protected: inline double eval(double x) const { x -= xmin; - if(x <= 0.0) { // Left extrapolation. + if (x <= 0.0) { // Left extrapolation. return Y[0] + deriv0 * x; } - else if(x >= xmax_shifted) { // Right extrapolation. + else if (x >= xmax_shifted) { // Right extrapolation. return Y[N-1] + derivN * (x - xmax_shifted); } else { @@ -119,7 +119,7 @@ protected: int khi = N-1; while(khi - klo > 1) { int k = (khi + klo) / 2; - if(Xs[k] > x) khi = k; + if (Xs[k] > x) khi = k; else klo = k; } double h = Xs[khi] - Xs[klo]; @@ -144,11 +144,11 @@ protected: inline double eval(double x, double& deriv) const { x -= xmin; - if(x <= 0.0) { // Left extrapolation. + if (x <= 0.0) { // Left extrapolation. deriv = deriv0; return Y[0] + deriv0 * x; } - else if(x >= xmax_shifted) { // Right extrapolation. + else if (x >= xmax_shifted) { // Right extrapolation. deriv = derivN; return Y[N-1] + derivN * (x - xmax_shifted); } @@ -159,7 +159,7 @@ protected: int khi = N-1; while(khi - klo > 1) { int k = (khi + klo) / 2; - if(Xs[k] > x) khi = k; + if (Xs[k] > x) khi = k; else klo = k; } double h = Xs[khi] - Xs[klo]; diff --git a/src/USER-PTM/ptm_voronoi_cell.h b/src/USER-PTM/ptm_voronoi_cell.h index 69e3b5bdc4..138f290c42 100644 --- a/src/USER-PTM/ptm_voronoi_cell.h +++ b/src/USER-PTM/ptm_voronoi_cell.h @@ -328,12 +328,12 @@ class voronoicell_neighbor : public voronoicell_base { inline void n_allocate(int i,int m) {mne[i]=new int[m*i];} inline void n_add_memory_vertices(int i) { int **pp=new int*[i]; - for(int j=0;j l2_norm(const std::vector& vec) { template inline void scalar_mul(T1 a, std::vector& vec) { int n = vec.size(); - for(int i = 0;i < n;i++) + for (int i = 0;i < n;i++) vec[i] *= a; } @@ -465,7 +465,7 @@ inline void normalize(std::vector& vec) { template inline real_t l1_norm(const std::vector& vec) { real_t norm = real_t(); // Zero initialization - for(const T& element : vec) + for (const T& element : vec) norm += std::abs(element); return norm; } @@ -746,7 +746,7 @@ template int Jacobi:: MaxEntryRow(Scalar const *const *M, int i) const { int j_max = i+1; - for(int j = i+2; j < n; j++) + for (int j = i+2; j < n; j++) if (std::abs(M[i][j]) > std::abs(M[i][j_max])) j_max = j; return j_max; @@ -963,9 +963,9 @@ run(real_t& eigvalue, std::vector& eigvec) const pev = std::numeric_limits>::max(); int itern = this->max_iteration; - for(int k = 1;k <= this->max_iteration;k++) { + for (int k = 1;k <= this->max_iteration;k++) { // vk = (A + offset*E)uk, here E is the identity matrix - for(int i = 0;i < n;i++) { + for (int i = 0;i < n;i++) { vk[i] = uk[i]*this->eigenvalue_offset; } this->mv_mul(uk, vk); @@ -984,7 +984,7 @@ run(real_t& eigvalue, std::vector& eigvec) const alpha.push_back(alphak); - for(int i = 0;i < n; i++) { + for (int i = 0;i < n; i++) { uk[i] = vk[i] - betak*u[k-1][i] - alphak*u[k][i]; } @@ -993,14 +993,14 @@ run(real_t& eigvalue, std::vector& eigvec) const betak = l2_norm(uk); beta.push_back(betak); - if(this->find_maximum) { + if (this->find_maximum) { ev = find_maximum_eigenvalue(alpha, beta); } else { ev = find_minimum_eigenvalue(alpha, beta); } const real_t zero_threshold = minimum_effective_decimal>()*1e-1; - if(betak < zero_threshold) { + if (betak < zero_threshold) { u.push_back(uk); // This element will never be accessed, // but this "push" guarantees u to always have one more element than @@ -1012,7 +1012,7 @@ run(real_t& eigvalue, std::vector& eigvec) const normalize(uk); u.push_back(uk); - if(abs(ev-pev) < std::min(abs(ev), abs(pev))*this->eps) { + if (abs(ev-pev) < std::min(abs(ev), abs(pev))*this->eps) { itern = k; break; } else { @@ -1030,18 +1030,18 @@ run(real_t& eigvalue, std::vector& eigvec) const beta[m-1] = 0.0; - if(eigvec.size() < n) { + if (eigvec.size() < n) { eigvec.resize(n); } - for(int i = 0;i < n;i++) { + for (int i = 0;i < n;i++) { eigvec[i] = cv[m-1]*u[m-1][i]; } - for(int k = m-2;k >= 1;k--) { + for (int k = m-2;k >= 1;k--) { cv[k] = ((ev - alpha[k+1])*cv[k+1] - beta[k+1]*cv[k+2])/beta[k]; - for(int i = 0;i < n;i++) { + for (int i = 0;i < n;i++) { eigvec[i] += cv[k]*u[k][i]; } } @@ -1062,9 +1062,9 @@ schmidt_orth(std::vector& uorth, const std::vector>& u) int n = uorth.size(); - for(int k = 0;k < u.size();k++) { + for (int k = 0;k < u.size();k++) { T innprod = inner_prod(uorth, u[k]); - for(int i = 0;i < n;i++) + for (int i = 0;i < n;i++) uorth[i] -= innprod * u[k][i]; } } @@ -1083,16 +1083,16 @@ find_minimum_eigenvalue(const std::vector>& alpha, real_t mid; int nmid; // Number of eigenvalues smaller than the "mid" - while(upper-lower > std::min(abs(lower), abs(upper))*eps) { + while (upper-lower > std::min(abs(lower), abs(upper))*eps) { mid = (lower+upper)/2.0; nmid = num_of_eigs_smaller_than(mid, alpha, beta); - if(nmid >= 1) { + if (nmid >= 1) { upper = mid; } else { lower = mid; } - if(mid == pmid) { + if (mid == pmid) { break; // This avoids an infinite loop due to zero matrix } pmid = mid; @@ -1119,17 +1119,17 @@ find_maximum_eigenvalue(const std::vector>& alpha, // triangular matrix, which equals the rank of it - while(upper-lower > std::min(abs(lower), abs(upper))*eps) { + while (upper-lower > std::min(abs(lower), abs(upper))*eps) { mid = (lower+upper)/2.0; nmid = num_of_eigs_smaller_than(mid, alpha, beta); - if(nmid < m) { + if (nmid < m) { lower = mid; } else { upper = mid; } - if(mid == pmid) { + if (mid == pmid) { break; // This avoids an infinite loop due to zero matrix } pmid = mid; @@ -1173,12 +1173,12 @@ num_of_eigs_smaller_than(real_t c, int count = 0; int m = alpha.size(); - for(int i = 1;i < m;i++){ + for (int i = 1;i < m;i++){ q_i = alpha[i] - c - beta[i-1]*beta[i-1]/q_i; - if(q_i < 0){ + if (q_i < 0){ count++; } - if(q_i == 0){ + if (q_i == 0){ q_i = minimum_effective_decimal>(); } } @@ -1271,7 +1271,7 @@ init(std::vector& v) std::uniform_real_distribution rand((T)(-1.0), (T)(1.0)); int n = v.size(); - for(int i = 0;i < n;i++) { + for (int i = 0;i < n;i++) { v[i] = rand(mt); } @@ -1288,7 +1288,7 @@ init(std::vector>& v) std::uniform_real_distribution rand((T)(-1.0), (T)(1.0)); int n = v.size(); - for(int i = 0;i < n;i++) { + for (int i = 0;i < n;i++) { v[i] = std::complex(rand(mt), rand(mt)); } @@ -1319,14 +1319,14 @@ PrincipalEigen(ConstMatrix matrix, { //assert(n > 0); auto matmul = [&](const std::vector& in, std::vector& out) { - for(int i = 0; i < n; i++) { - for(int j = 0; j < n; j++) { + for (int i = 0; i < n; i++) { + for (int j = 0; j < n; j++) { out[i] += matrix[i][j]*in[j]; } } }; auto init_vec = [&](std::vector& vec) { - for(int i = 0; i < n; i++) + for (int i = 0; i < n; i++) vec[i] = 0.0; vec[0] = 1.0; };