diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp index 91fa3d38c7f3d0310fb5e7e69729ff4c3bdc90e6..45c4bce0c08f9c8d8bb993dcde5261daf3753741 100644 --- a/src/USER-OMP/pair_reaxc_omp.cpp +++ b/src/USER-OMP/pair_reaxc_omp.cpp @@ -84,10 +84,11 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR) PairReaxCOMP::~PairReaxCOMP() { - reax_list * bonds = lists+BONDS; - for (int i=0; i<bonds->num_intrs; ++i) - sfree(bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction"); - + if (setup_flag) { + reax_list * bonds = lists+BONDS; + for (int i=0; i<bonds->num_intrs; ++i) + sfree(bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction"); + } memory->destroy(num_nbrs_offset); #ifdef OMP_TIMING