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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-08 17:55:44 +00:00
parent 9026afed5c
commit c1e12f9508
22 changed files with 299 additions and 316 deletions
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13
src/fix_balance.cpp
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@ -73,12 +73,14 @@ FixBalance::FixBalance(LAMMPS *lmp, int narg, char **arg) :
// optional args
outflag = 0;
int outarg = 0;
fp = NULL;
while (iarg < narg) {
if (strcmp(arg[iarg],"out") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix balance command");
outflag = 1;
outarg = iarg+1;
iarg += 2;
} else error->all(FLERR,"Illegal fix balance command");
@ -114,7 +116,7 @@ FixBalance::FixBalance(LAMMPS *lmp, int narg, char **arg) :
// output file
if (outarg && comm->me == 0) {
if (outflag && comm->me == 0) {
fp = fopen(arg[outarg],"w");
if (fp == NULL) error->one(FLERR,"Cannot open fix balance output file");
}
@ -256,9 +258,9 @@ void FixBalance::rebalance()
comm->layout = LAYOUT_TILED;
}
// output of final result
// output of new decomposition
if (fp) balance->dumpout(update->ntimestep,fp);
if (outflag) balance->dumpout(update->ntimestep,fp);
// reset proc sub-domains
@ -269,12 +271,9 @@ void FixBalance::rebalance()
// only needed if migrate_check() says an atom moves to far
// else allow caller's comm->exchange() to do it
//NOTE: change back to migrate_check()
if (domain->triclinic) domain->x2lamda(atom->nlocal);
if (lbstyle == BISECTION) irregular->migrate_atoms(0,sendproc);
//else if (irregular->migrate_check()) irregular->migrate_atoms();
else irregular->migrate_atoms();
else if (irregular->migrate_check()) irregular->migrate_atoms();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// invoke KSpace setup_grid() to adjust to new proc sub-domains