cleanup from aidan for fix reax/c/species and its KOKKOS version
this version eliminates the need for the PBCconnected list and avoids having to access the spec_atom array for ghost atoms
Showing
- src/KOKKOS/fix_reaxc_species_kokkos.cpp 15 additions, 20 deletionssrc/KOKKOS/fix_reaxc_species_kokkos.cpp
- src/USER-REAXC/fix_reaxc_species.cpp 22 additions, 47 deletionssrc/USER-REAXC/fix_reaxc_species.cpp
- src/USER-REAXC/fix_reaxc_species.h 0 additions, 1 deletionsrc/USER-REAXC/fix_reaxc_species.h
Loading
Please register or sign in to comment