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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5472 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-01-04 21:08:27 +00:00
parent a7f69eac0c
commit c9495408a1
16 changed files with 69 additions and 61 deletions
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19
src/group.cpp
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@ -17,6 +17,7 @@
#include "string.h"
#include "stdlib.h"
#include "group.h"
#include "lmptype.h"
#include "domain.h"
#include "atom.h"
#include "force.h"
@ -481,10 +482,9 @@ void Group::read_restart(FILE *fp)
/* ----------------------------------------------------------------------
count atoms in group
compute in double precision in case system is huge
------------------------------------------------------------------------- */
double Group::count(int igroup)
bigint Group::count(int igroup)
{
int groupbit = bitmask[igroup];
@ -495,18 +495,17 @@ double Group::count(int igroup)
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) n++;
double nsingle = n;
double nall;
MPI_Allreduce(&nsingle,&nall,1,MPI_DOUBLE,MPI_SUM,world);
bigint nsingle = n;
bigint nall;
MPI_Allreduce(&nsingle,&nall,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
return nall;
}
/* ----------------------------------------------------------------------
count atoms in group and region
compute in double precision in case system is huge
------------------------------------------------------------------------- */
double Group::count(int igroup, int iregion)
bigint Group::count(int igroup, int iregion)
{
int groupbit = bitmask[igroup];
Region *region = domain->regions[iregion];
@ -519,9 +518,9 @@ double Group::count(int igroup, int iregion)
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2])) n++;
double nsingle = n;
double nall;
MPI_Allreduce(&nsingle,&nall,1,MPI_DOUBLE,MPI_SUM,world);
bigint nsingle = n;
bigint nall;
MPI_Allreduce(&nsingle,&nall,1,MPI_UNSIGNED_LONG,MPI_SUM,world);
return nall;
}