From 398c030925e8175f6e15177f2d9b3194fca9524a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 25 Mar 2020 06:52:37 -0400 Subject: [PATCH] whitespace cleanup --- src/KOKKOS/sna_kokkos_impl.h | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h index e6c34a245b..dcedf333e5 100644 --- a/src/KOKKOS/sna_kokkos_impl.h +++ b/src/KOKKOS/sna_kokkos_impl.h @@ -382,7 +382,7 @@ void SNAKokkos::compute_ui(const typename Kokkos::TeamPolicy 0)?rootpq2*buf1[jjup_shared_idx-1]:SNAcomplex(0.,0.); //const SNAcomplex u_up2 = (ma > 0)?rootpq2*ulist(jjup_index-1,iatom,jnbor):SNAcomplex(0.,0.); caconjxpy(b, u_up2, u_accum); - + // VMK recursion relation: grab contribution which is multiplied by a* const double rootpq1 = rootpqarray(j - ma, j - mb); const SNAcomplex u_up1 = (ma < j)?rootpq1*buf1[jjup_shared_idx]:SNAcomplex(0.,0.); @@ -399,12 +399,12 @@ void SNAKokkos::compute_ui(const typename Kokkos::TeamPolicy physical j integer), last element maps to self, skip - //if (!(m == total_iters - 1 && j % 2 == 0)) { + //if (!(m == total_iters - 1 && j % 2 == 0)) { if (m < total_iters - 1 || j % 2 == 1) { const int sign_factor = (((ma+mb)%2==0)?1:-1); const int jju_shared_flip = (j+1-mb)*(j+1)-(ma+1); const int jjup_flip = jju + jju_shared_flip; // jju+(j+1-mb)*(j+1)-(ma+1); - + if (sign_factor == 1) { u_accum.im = -u_accum.im; @@ -419,12 +419,12 @@ void SNAKokkos::compute_ui(const typename Kokkos::TeamPolicy::compute_fused_deidrj(const typename Kokkos::TeamPoli // copy left side to right side with inversion symmetry VMK 4.4(2) // u[ma-j][mb-j] = (-1)^(ma-mb)*Conj([u[ma][mb]) if (j%2==1 && mb+1==n_mb) { - int sign_factor = (((ma+mb)%2==0)?1:-1); + int sign_factor = (((ma+mb)%2==0)?1:-1); //const int jjup_flip = jju+(j+1-mb)*(j+1)-(ma+1); // no longer needed b/c we don't update dulist const int jju_shared_flip = (j+1-mb)*(j+1)-(ma+1); @@ -787,18 +787,18 @@ void SNAKokkos::compute_fused_deidrj(const typename Kokkos::TeamPoli auto tmp = ulist_buf1; ulist_buf1 = ulist_buf2; ulist_buf2 = tmp; tmp = dulist_buf1; dulist_buf1 = dulist_buf2; dulist_buf2 = tmp; - // Accumulate dedr. This "should" be in a single, but + // Accumulate dedr. This "should" be in a single, but // a Kokkos::single call implies a warp sync, and we may // as well avoid that. This does no harm as long as the // final assignment is in a single block. //Kokkos::single(Kokkos::PerThread(team), [=]() { - dedr_full_sum += dedr_sum; + dedr_full_sum += dedr_sum; //}); } // Store the accumulated dedr. Kokkos::single(Kokkos::PerThread(team), [&] () { - dedr(iatom,jnbor,dir) = dedr_full_sum*2.0; + dedr(iatom,jnbor,dir) = dedr_full_sum*2.0; }); }