Unverified Commit 7e2f29bb authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #2168 from charlessievers/chem_snap 

Chem snap bugifx
parents 77f6fecc d8e0f553

src/KOKKOS/pair_snap_kokkos_impl.h

+5 −2
Original line number Diff line number Diff line
@@ -655,8 +655,11 @@ void PairSNAPKokkos<DeviceType>::operator() (TagPairSNAPZeroYi,const typename Ko 
  const int ii = team.league_rank() / ((my_sna.idxu_max+team.team_size()-1)/team.team_size());

  if (ii >= chunk_size) return;



  if (chemflag)

    for(int ielem = 0; ielem < nelements; ielem++)

      my_sna.zero_yi(idx,ii,ielem);

  else

    my_sna.zero_yi(idx,ii,0);

}



template<class DeviceType>

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