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changes to imbalance weight factors

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This commit is contained in:
Steve Plimpton
2016-10-05 10:33:39 -06:00
parent 11c2892e54
commit c46be7db62
36 changed files with 241 additions and 302 deletions
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16
src/imbalance_var.cpp
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@ -24,11 +24,10 @@
#include "update.h"
using namespace LAMMPS_NS;
#define SMALL 0.001
/* -------------------------------------------------------------------- */
ImbalanceVar::ImbalanceVar(LAMMPS *lmp) : Imbalance(lmp), name(0), id(0) {}
ImbalanceVar::ImbalanceVar(LAMMPS *lmp) : Imbalance(lmp), name(0) {}
/* -------------------------------------------------------------------- */
@ -76,10 +75,15 @@ void ImbalanceVar::compute(double *weight)
memory->create(values,nlocal,"imbalance:values");
input->variable->compute_atom(id,all,values,1,0);
for (int i = 0; i < nlocal; ++i) {
weight[i] *= values[i];
if (weight[i] < SMALL) weight[i] = SMALL;
}
int flag = 0;
for (int i = 0; i < nlocal; i++)
if (values[i] <= 0.0) flag = 1;
int flagall;
MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);
if (flagall) error->one(FLERR,"Balance weight <= 0.0");
for (int i = 0; i < nlocal; i++) weight[i] *= values[i];
memory->destroy(values);
}