diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index f8328b0d5fa1920a682d71019efde33322149a0d..5ca8258a66b50f28111048475a297f3527fc9229 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -73,7 +73,8 @@ PairKIM::PairKIM(LAMMPS *lmp) : kim_particleTypes(0), lmps_force_tmp(0), lmps_stripped_neigh_list(0), - kim_iterator_position(0) + kim_iterator_position(0), + Rij(0) { // Initialize Pair data members to appropriate values single_enable = 0; // We do not provide the Single() function @@ -86,9 +87,6 @@ PairKIM::PairKIM(LAMMPS *lmp) : kim_init_ok = false; // END - // allocate enough memory to ensure we are safe (by using neighbor->oneatom) - memory->create(Rij,3*(neighbor->oneatom),"pair:Rij"); - return; } @@ -396,7 +394,14 @@ void PairKIM::init_style() if (kimerror != KIM_STATUS_OK) kim_error(__LINE__, "KIM API:model_init() failed", kimerror); else + { kim_model_init_ok = true; + + // allocate enough memory to ensure we are safe + // (by using neighbor->oneatom) + if (kim_model_using_Rij) + memory->create(Rij,3*(neighbor->oneatom),"pair:Rij"); + } } // request none, half, or full neighbor list