ICODE-ADC/lammps
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This commit is contained in:
Axel Kohlmeyer
2023-03-06 13:42:45 -05:00
parent 376c7899ab
commit 2af1949a92
2 changed files with 5 additions and 5 deletions
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6
src/balance.cpp
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@ -482,11 +482,11 @@ void Balance::options(int iarg, int narg, char **arg, int sortflag_default)
outflag = 1; outflag = 1;
outarg = iarg+1; outarg = iarg+1;
iarg += 2; iarg += 2;
} else if (strcmp(arg[iarg],"old") == 0) { } else if (strcmp(arg[iarg],"old") == 0) {
oldrcb = 1; oldrcb = 1;
iarg++; iarg++;
} else error->all(FLERR,"Illegal (fix) balance command"); } else error->all(FLERR,"Illegal (fix) balance command");
} }
@ -666,7 +666,7 @@ int *Balance::bisection()
} }
if (triclinic) domain->lamda2x(nlocal); if (triclinic) domain->lamda2x(nlocal);
rcb->invert(sortflag); rcb->invert(sortflag);
// reset RCB lo/hi bounding box to full simulation box as needed // reset RCB lo/hi bounding box to full simulation box as needed

4
src/fix_balance.cpp
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@ -107,7 +107,7 @@ FixBalance::FixBalance(LAMMPS *lmp, int narg, char **arg) :
balance->options(iarg,narg,arg,0); balance->options(iarg,narg,arg,0);
wtflag = balance->wtflag; wtflag = balance->wtflag;
sortflag = balance->sortflag; sortflag = balance->sortflag;
if (balance->varflag && nevery == 0) if (balance->varflag && nevery == 0)
error->all(FLERR,"Fix balance nevery = 0 cannot be used with weight var"); error->all(FLERR,"Fix balance nevery = 0 cannot be used with weight var");
@ -299,7 +299,7 @@ void FixBalance::rebalance()
// sortflag determines whether irregular sorts its // sortflag determines whether irregular sorts its
// comm messages for reproducibility // comm messages for reproducibility
// if not, message order is random, atom order is non-deterministic // if not, message order is random, atom order is non-deterministic
if (domain->triclinic) domain->x2lamda(atom->nlocal); if (domain->triclinic) domain->x2lamda(atom->nlocal);
if (wtflag) balance->fixstore->disable = 0; if (wtflag) balance->fixstore->disable = 0;
if (lbstyle == BISECTION) irregular->migrate_atoms(sortflag,1,sendproc); if (lbstyle == BISECTION) irregular->migrate_atoms(sortflag,1,sendproc);