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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
pscrozi 2013-03-06 19:58:37 +00:00
parent 70fbc16e7d
commit a3d29c1665
1 changed files with 7 additions and 0 deletions
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7
src/MC/fix_gcmc.cpp
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@ -433,6 +433,7 @@ void FixGCMC::attempt_atomic_translation()
MPI_Allreduce(&success,&success_all,1,MPI_INT,MPI_MAX,world); MPI_Allreduce(&success,&success_all,1,MPI_INT,MPI_MAX,world);
if (success_all) { if (success_all) {
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
ntranslation_successes += 1.0; ntranslation_successes += 1.0;
@ -470,6 +471,7 @@ void FixGCMC::attempt_atomic_deletion()
atom->natoms--; atom->natoms--;
if (atom->map_style) atom->map_init(); if (atom->map_style) atom->map_init();
} }
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
ndeletion_successes += 1.0; ndeletion_successes += 1.0;
@ -537,6 +539,7 @@ void FixGCMC::attempt_atomic_insertion()
atom->tag_extend(); atom->tag_extend();
if (atom->map_style) atom->map_init(); if (atom->map_style) atom->map_init();
} }
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
ninsertion_successes += 1.0; ninsertion_successes += 1.0;
@ -594,6 +597,7 @@ void FixGCMC::attempt_molecule_translation()
x[i][2] += com_displace[2]; x[i][2] += com_displace[2];
} }
} }
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
ntranslation_successes += 1.0; ntranslation_successes += 1.0;
@ -671,6 +675,7 @@ void FixGCMC::attempt_molecule_rotation()
n++; n++;
} }
} }
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
nrotation_successes += 1.0; nrotation_successes += 1.0;
@ -703,6 +708,7 @@ void FixGCMC::attempt_molecule_deletion()
} }
atom->natoms -= natoms_per_molecule; atom->natoms -= natoms_per_molecule;
atom->map_init(); atom->map_init();
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
ndeletion_successes += 1.0; ndeletion_successes += 1.0;
@ -833,6 +839,7 @@ void FixGCMC::attempt_molecule_insertion()
} }
atom->natoms += natoms_per_molecule; atom->natoms += natoms_per_molecule;
atom->map_init(); atom->map_init();
atom->nghost = 0;
comm->borders(); comm->borders();
update_gas_atoms_list(); update_gas_atoms_list();
ninsertion_successes += 1.0; ninsertion_successes += 1.0;