From d7d087ae671d7377fe1f27f7c07a19fa63100b97 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Wed, 10 Jan 2018 10:20:40 -0700 Subject: [PATCH] Fix issue with peratom energy/virial in pair_snap_kokkos --- src/KOKKOS/pair_snap_kokkos_impl.h | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index b2f16b8e77..20739bb2a0 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -66,7 +66,10 @@ PairSNAPKokkos::PairSNAPKokkos(LAMMPS *lmp) : PairSNAP(lmp) template PairSNAPKokkos::~PairSNAPKokkos() { - //if (copymode) return; + if (copymode) return; + + memoryKK->destroy_kokkos(k_eatom,eatom); + memoryKK->destroy_kokkos(k_vatom,vatom); }