From 8aaae8e6ee26dea0c6f41c46ff2c62dfb7041f4c Mon Sep 17 00:00:00 2001 From: Stan Gerald Moore Date: Fri, 7 Jan 2022 15:22:53 -0700 Subject: [PATCH] Fix count issue --- src/KOKKOS/pair_reaxff_kokkos.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index 02af958b5e..ebcd66e83c 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -1775,7 +1775,7 @@ void PairReaxFFKokkos::operator()(PairReaxBuildListsHalf, const int jj_index = j_index - hb_first_i; if (jj_index >= maxhb) - d_resize_hb() = MAX(d_resize_hb(),jj_index); + d_resize_hb() = MAX(d_resize_hb(),jj_index+1); else d_hb_list[j_index] = j; } else if (j < nlocal && ihb == 2 && jhb == 1) { @@ -1789,7 +1789,7 @@ void PairReaxFFKokkos::operator()(PairReaxBuildListsHalf, const int ii_index = i_index - d_hb_first[j]; if (ii_index >= maxhb) - d_resize_hb() = MAX(d_resize_hb(),ii_index); + d_resize_hb() = MAX(d_resize_hb(),ii_index+1); else d_hb_list[i_index] = i; } @@ -1844,7 +1844,7 @@ void PairReaxFFKokkos::operator()(PairReaxBuildListsHalf, const int ii_index = i_index - d_bo_first[j]; if (jj_index >= maxbo || ii_index >= maxbo) { - const int max_val = MAX(ii_index,jj_index); + const int max_val = MAX(ii_index+1,jj_index+1); d_resize_bo() = MAX(d_resize_bo(),max_val); } else { d_bo_list[j_index] = j;