diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index 6b7468558e..05ec27a9b4 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -61,6 +61,10 @@ PairBOP::PairBOP(LAMMPS *lmp) : Pair(lmp) manybody_flag = 1; ghostneigh = 1; + BOP_index = NULL; + BOP_index3 = NULL; + BOP_total = NULL; + BOP_total3 = NULL; map = NULL; pi_a = NULL; pro_delta = NULL; @@ -102,6 +106,8 @@ PairBOP::PairBOP(LAMMPS *lmp) : Pair(lmp) rij = NULL; neigh_index = NULL; neigh_index3 = NULL; + neigh_flag = NULL; + neigh_flag3 = NULL; cosAng = NULL; betaS = NULL; dBetaS = NULL; @@ -5798,6 +5804,12 @@ void PairBOP::memory_theta_destroy() memory->destroy(neigh_flag3); memory->destroy(neigh_index); memory->destroy(neigh_index3); + itypeSigBk = NULL; + itypePiBk = NULL; + neigh_flag = NULL; + neigh_flag3 = NULL; + neigh_index = NULL; + neigh_index3 = NULL; if(otfly==0) { memory->destroy(cosAng); memory->destroy(dcAng);