ICODE-ADC/lammps
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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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src/dump.cpp
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@ -16,6 +16,7 @@
#include "string.h"
#include "stdio.h"
#include "dump.h"
#include "lmptype.h"
#include "atom.h"
#include "irregular.h"
#include "update.h"
@ -31,7 +32,6 @@ using namespace LAMMPS_NS;
Dump *Dump::dumpptr;
#define MAXATOMS 0x7FFFFFFF
#define BIG 1.0e20
#define IBIG 2147483647
#define EPSILON 1.0e-6
@ -174,7 +174,7 @@ void Dump::init()
irregular = new Irregular(lmp);
double size = group->count(igroup);
if (size > MAXATOMS) error->all("Too many atoms to dump sort");
if (size > MAXINT32) error->all("Too many atoms to dump sort");
// set reorderflag = 1 if can simply reorder local atoms rather than sort
// criteria: sorting by ID, atom IDs are consecutive from 1 to Natoms