diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 76c18bb38a..354b660c0b 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -158,6 +158,7 @@ PairKIM::~PairKIM() memory->destroy(setflag); memory->destroy(cutsq); delete [] lmps_map_species_to_unique; + lmps_map_species_to_unique = nullptr; } // clean up neighborlist pointers @@ -792,7 +793,7 @@ int PairKIM::get_neigh(void const * const dataObject, int const ** const neighborsOfParticle) { PairKIM const * const Model - = reinterpret_cast(dataObject); + = reinterpret_cast(dataObject); if (numberOfNeighborLists != Model->kim_number_of_neighbor_lists) return true; @@ -926,7 +927,7 @@ void PairKIM::set_argument_pointers() kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble( pargs,KIM_COMPUTE_ARGUMENT_NAME_partialEnergy, - static_cast(NULL)); + static_cast(NULL)); } } @@ -947,7 +948,7 @@ void PairKIM::set_argument_pointers() kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble( pargs, KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy, - static_cast(NULL)); + static_cast(NULL)); } else if (KIM_SupportStatus_NotEqual(kim_model_support_for_particleEnergy, KIM_SUPPORT_STATUS_notSupported)) { kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble( @@ -960,7 +961,7 @@ void PairKIM::set_argument_pointers() kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble( pargs, KIM_COMPUTE_ARGUMENT_NAME_partialForces, - static_cast(NULL)); + static_cast(NULL)); } else { kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble( pargs, KIM_COMPUTE_ARGUMENT_NAME_partialForces, &(atom->f[0][0])); @@ -983,7 +984,7 @@ void PairKIM::set_argument_pointers() kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble( pargs, KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial, - static_cast(NULL)); + static_cast(NULL)); } else if (KIM_SupportStatus_NotEqual(kim_model_support_for_particleVirial, KIM_SUPPORT_STATUS_notSupported)) { kimerror = kimerror || KIM_ComputeArguments_SetArgumentPointerDouble(