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imbalance_group.h
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Mon, Nov 11, 19:33

imbalance_group.h

/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_IMBALANCE_GROUP_H
#define LMP_IMBALANCE_GROUP_H
#include "imbalance.h"
namespace LAMMPS_NS {
class ImbalanceGroup : public Imbalance {
public:
ImbalanceGroup(LAMMPS *lmp) : Imbalance(lmp),_num(0),_id(0),_factor(0) {};
virtual ~ImbalanceGroup() { delete[] _id; delete[] _factor; };
// internal data members
private:
int _num; // number of groups with weights
int *_id; // list numerical id's of groups
double *_factor; // list if group weight factors
// required member functions
public:
// parse options. return number of arguments consumed.
virtual int options(int narg, char **arg);
// compute and apply weight factors to local atom array
virtual void compute(double *weight);
// print information about the state of this imbalance compute
virtual void info(FILE *fp);
};
}
#endif

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