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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13019 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-02-02 21:37:12 +00:00
parent 76c7e6ed7b
commit 4a0ba2126e
2 changed files with 26 additions and 0 deletions
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21
src/read_data.cpp
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@ -589,6 +589,27 @@ void ReadData::command(int narg, char **arg)
// in case data file re-defined them
if (atom->molecular == 2) atom->avec->onemols[0]->check_attributes(1);
// shrink-wrap the box if necessary and move atoms to new procs
// if atoms are lost is b/c data file box was far from shrink-wrapped
// do not use irregular() comm, which would not lose atoms,
// b/c then user could specify data file box as far too big and empty
if (domain->nonperiodic == 2) {
if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->reset_box();
comm->init();
comm->setup();
comm->exchange();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
bigint natoms;
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
if (natoms != atom->natoms)
error->all(FLERR,
"Read_data shrink wrap did not assign all atoms correctly");
}
}
/* ----------------------------------------------------------------------