From 00cf455be0271573396fbc6c0e53b1aca7deb855 Mon Sep 17 00:00:00 2001 From: "Adrian K. Turner" Date: Wed, 31 Aug 2022 16:57:19 -0500 Subject: [PATCH] Turn on single_bond method for Hopkins contact model for CPUs --- src/KOKKOS/pair_gran_hopkins_kokkos.cpp | 6 +++--- src/KOKKOS/pair_gran_hopkins_kokkos.h | 4 +++- 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/src/KOKKOS/pair_gran_hopkins_kokkos.cpp b/src/KOKKOS/pair_gran_hopkins_kokkos.cpp index 90f7e657870..472d54e555f 100644 --- a/src/KOKKOS/pair_gran_hopkins_kokkos.cpp +++ b/src/KOKKOS/pair_gran_hopkins_kokkos.cpp @@ -382,10 +382,10 @@ void PairGranHopkinsKokkos::operator()(TagPairGranHopkinsCompute KOKKOS_INLINE_FUNCTION -void PairGranHopkinsKokkos::demsi_single_bond(int i, +void PairGranHopkinsKokkos::single_bond(int i, int j, int jj, F_FLOAT &fx, @@ -432,7 +432,7 @@ void PairGranHopkinsKokkos::demsi_single_bond(int i, } } - +#endif //----------------------------------------------------------------------------- template diff --git a/src/KOKKOS/pair_gran_hopkins_kokkos.h b/src/KOKKOS/pair_gran_hopkins_kokkos.h index 0cdcb97ef0e..7a3b91c5b50 100644 --- a/src/KOKKOS/pair_gran_hopkins_kokkos.h +++ b/src/KOKKOS/pair_gran_hopkins_kokkos.h @@ -50,8 +50,9 @@ class PairGranHopkinsKokkos : public PairGranHopkins { KOKKOS_INLINE_FUNCTION void operator()(TagPairGranHopkinsCompute, const int, EV_FLOAT &ev) const; +#ifndef KOKKOS_ENABLE_CUDA KOKKOS_INLINE_FUNCTION - void demsi_single_bond(int, + void single_bond(int, int, int, F_FLOAT &fx, @@ -62,6 +63,7 @@ class PairGranHopkinsKokkos : public PairGranHopkins { F_FLOAT &fyt, F_FLOAT &torque_i, F_FLOAT &torque_j); +#endif template KOKKOS_INLINE_FUNCTION