diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h index 8f28c2ada6..7a4fdd0ece 100644 --- a/src/KOKKOS/sna_kokkos_impl.h +++ b/src/KOKKOS/sna_kokkos_impl.h @@ -55,6 +55,7 @@ SNAKokkos::SNAKokkos(real_type rfac0_in, ncoeff = compute_ncoeff(); nmax = 0; + natom = 0; build_indexlist();