From 81d3fa77bb020ea20752e0ebd9a6d2ada77dd977 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Sat, 4 May 2019 17:42:21 -0400 Subject: [PATCH] Add missing molecule_flag=1 in atom_vec_bond_kokkos --- src/KOKKOS/atom_vec_bond_kokkos.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/KOKKOS/atom_vec_bond_kokkos.cpp b/src/KOKKOS/atom_vec_bond_kokkos.cpp index c884d23880..2945f45ab3 100644 --- a/src/KOKKOS/atom_vec_bond_kokkos.cpp +++ b/src/KOKKOS/atom_vec_bond_kokkos.cpp @@ -43,6 +43,8 @@ AtomVecBondKokkos::AtomVecBondKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp) size_data_vel = 4; xcol_data = 4; + atom->molecule_flag = 1; + k_count = DAT::tdual_int_1d("atom::k_count",1); atomKK = (AtomKokkos *) atom; commKK = (CommKokkos *) comm;