From d296cb9eb10616fcc4aaface1d9fef8f0ae304ff Mon Sep 17 00:00:00 2001 From: pscrozi Date: Wed, 6 Mar 2013 21:33:57 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MC/fix_gcmc.cpp | 10 ++++++++++ 1 file changed, 10 insertions(+) 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();