From d7d087ae671d7377fe1f27f7c07a19fa63100b97 Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
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<DeviceType>::PairSNAPKokkos(LAMMPS *lmp) : PairSNAP(lmp)
template<class DeviceType>
PairSNAPKokkos<DeviceType>::~PairSNAPKokkos()
{
- //if (copymode) return;
+ if (copymode) return;
+
+ memoryKK->destroy_kokkos(k_eatom,eatom);
+ memoryKK->destroy_kokkos(k_vatom,vatom);
}
--
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