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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-11 00:41:00 +00:00
parent 4bc2d6f332
commit 82ec94916d
79 changed files with 458 additions and 315 deletions
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7
src/fix_ave_atom.cpp
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@ -14,6 +14,7 @@
#include "stdlib.h"
#include "string.h"
#include "fix_ave_atom.h"
#include "lmptype.h"
#include "atom.h"
#include "domain.h"
#include "update.h"
@ -276,7 +277,7 @@ void FixAveAtom::end_of_step()
// skip if not step which requires doing something
int ntimestep = update->ntimestep;
bigint ntimestep = update->ntimestep;
if (ntimestep != nvalid) return;
// zero if first step
@ -435,9 +436,9 @@ int FixAveAtom::unpack_exchange(int nlocal, double *buf)
else backup from next multiple of nfreq
------------------------------------------------------------------------- */
int FixAveAtom::nextvalid()
bigint FixAveAtom::nextvalid()
{
int nvalid = (update->ntimestep/peratom_freq)*peratom_freq + peratom_freq;
bigint nvalid = (update->ntimestep/peratom_freq)*peratom_freq + peratom_freq;
if (nvalid-peratom_freq == update->ntimestep && nrepeat == 1)
nvalid = update->ntimestep;
else