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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8671 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-15 14:43:41 +00:00
parent 4486372868
commit 8af673c69d
1 changed files with 18 additions and 5 deletions
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23
src/library.cpp
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@ -30,7 +30,9 @@
#include "modify.h" #include "modify.h"
#include "compute.h" #include "compute.h"
#include "fix.h" #include "fix.h"
#include "comm.h"
#include "memory.h" #include "memory.h"
#include "error.h"
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
@ -383,8 +385,13 @@ void lammps_gather_atoms(void *ptr, char *name,
// error if tags are not defined or not consecutive // error if tags are not defined or not consecutive
if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0) return; int flag = 0;
if (lmp->atom->natoms > MAXSMALLINT) return; if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0) flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (flag && lmp->comm->me == 0) {
lmp->error->warning(FLERR,"Library error in lammps_gather_atoms");
return;
}
int natoms = static_cast<int> (lmp->atom->natoms); int natoms = static_cast<int> (lmp->atom->natoms);
@ -464,10 +471,16 @@ void lammps_scatter_atoms(void *ptr, char *name,
{ {
LAMMPS *lmp = (LAMMPS *) ptr; LAMMPS *lmp = (LAMMPS *) ptr;
// error if tags are not defined or not consecutive // error if tags are not defined or not consecutive or no atom map
if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0) return; int flag = 0;
if (lmp->atom->natoms > MAXSMALLINT) return; if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0) flag = 1;
if (lmp->atom->natoms > MAXSMALLINT) flag = 1;
if (lmp->atom->map_style == 0) flag = 1;
if (flag && lmp->comm->me == 0) {
lmp->error->warning(FLERR,"Library error in lammps_scatter_atoms");
return;
}
int natoms = static_cast<int> (lmp->atom->natoms); int natoms = static_cast<int> (lmp->atom->natoms);