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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5457 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-04 19:12:58 +00:00
parent f3300e9536
commit d5aa03447b
27 changed files with 580 additions and 487 deletions
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13
src/delete_atoms.cpp
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@ -14,6 +14,7 @@
#include "stdlib.h"
#include "string.h"
#include "delete_atoms.h"
#include "lmptype.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
@ -49,7 +50,7 @@ void DeleteAtoms::command(int narg, char **arg)
// store state before delete
int natoms_previous = static_cast<int> (atom->natoms);
bigint natoms_previous = atom->natoms;
// delete the atoms
@ -91,8 +92,8 @@ void DeleteAtoms::command(int narg, char **arg)
// reset atom->map if it exists
// set nghost to 0 so old ghosts of deleted atoms won't be mapped
double rlocal = atom->nlocal;
MPI_Allreduce(&rlocal,&atom->natoms,1,MPI_DOUBLE,MPI_SUM,world);
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&atom->natoms,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
if (atom->map_style) {
atom->nghost = 0;
atom->map_init();
@ -101,12 +102,12 @@ void DeleteAtoms::command(int narg, char **arg)
// print before and after atom count
int ndelete = static_cast<int> (natoms_previous - atom->natoms);
bigint ndelete = natoms_previous - atom->natoms;
if (comm->me == 0) {
if (screen) fprintf(screen,"Deleted %d atoms, new total = %.15g\n",
if (screen) fprintf(screen,"Deleted %lu atoms, new total = %lu\n",
ndelete,atom->natoms);
if (logfile) fprintf(logfile,"Deleted %d atoms, new total = %.15g\n",
if (logfile) fprintf(logfile,"Deleted %lu atoms, new total = %lu\n",
ndelete,atom->natoms);
}
}