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This commit is contained in:
Axel Kohlmeyer
2023-10-17 19:41:00 -04:00
parent 6b184e8079
commit dbd5f93ed4
2 changed files with 2 additions and 2 deletions
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2
src/KOKKOS/npair_halffull_kokkos.h
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@ -16,7 +16,7 @@
// Trim off
// Newton, no triclinic
// Newton, no triclinic
typedef NPairHalffullKokkos<LMPDeviceType,1,0,0> NPairKokkosHalffullNewtonDevice;
NPairStyle(halffull/newton/kk/device,

2
src/KOKKOS/npair_kokkos.cpp
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@ -1354,7 +1354,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
other_x[MY_II + 2 * atoms_per_bin] = ztmp;
other_x[MY_II + 3 * atoms_per_bin] = itype;
other_x[MY_II + 4 * atoms_per_bin] = radi;
if (HalfNeigh && Newton && Tri) {
if (HalfNeigh && Newton && Tri) {
itag = tag(i);
other_x[MY_II + 5 * atoms_per_bin] = itag;
}