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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
pscrozi
2013-03-06 21:33:57 +00:00
parent ed72c6c5ae
commit d296cb9eb1
1 changed files with 10 additions and 0 deletions
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10
src/MC/fix_gcmc.cpp
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@ -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();