diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 2deeb56c61..0522b70146 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -360,6 +360,10 @@ void FixGCMC::pre_exchange() if (regionflag) volume = region_volume; else volume = domain->xprd * domain->yprd * domain->zprd; + domain->pbc(); + comm->exchange(); + atom->nghost = 0; + comm->borders(); update_gas_atoms_list(); if (molflag) { @@ -433,6 +437,8 @@ void FixGCMC::attempt_atomic_translation() MPI_Allreduce(&success,&success_all,1,MPI_INT,MPI_MAX,world); if (success_all) { + domain->pbc(); + comm->exchange(); atom->nghost = 0; comm->borders(); update_gas_atoms_list(); @@ -597,6 +603,8 @@ void FixGCMC::attempt_molecule_translation() x[i][2] += com_displace[2]; } } + domain->pbc(); + comm->exchange(); atom->nghost = 0; comm->borders(); update_gas_atoms_list(); @@ -675,6 +683,8 @@ void FixGCMC::attempt_molecule_rotation() n++; } } + domain->pbc(); + comm->exchange(); atom->nghost = 0; comm->borders(); update_gas_atoms_list();