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fix_balance.h
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Tue, Jul 30, 09:30

fix_balance.h
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/* -*- 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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(balance,FixBalance)
#else
#ifndef LMP_FIX_BALANCE_H
#define LMP_FIX_BALANCE_H
#include <stdio.h>
#include "fix.h"
namespace LAMMPS_NS {
class FixBalance : public Fix {
public:
FixBalance(class LAMMPS *, int, char **);
~FixBalance();
int setmask();
void init();
void setup(int);
void setup_pre_exchange();
void pre_exchange();
void pre_neighbor();
void post_constructor();
double compute_scalar();
double compute_vector(int);
double memory_usage();
private:
int nevery,lbstyle,nitermax,outflag;
double thresh,stopthresh;
char bstr[4];
FILE *fp;
double imbnow; // current imbalance factor
double imbprev; // imbalance factor before last rebalancing
double imbfinal; // imbalance factor after last rebalancing
int maxperproc; // max atoms on any processor
int itercount; // iteration count of last call to Balance
int kspace_flag; // 1 if KSpace solver defined
int pending;
int nimbalance; // number of imbalance weight computes
class Imbalance **imbalance; // list of imbalance compute classes
class FixStore *imb_fix; // fix for storing per-atom weights
class Balance *balance;
class Irregular *irregular;
void rebalance();
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Fix balance shift string is invalid
The string can only contain the characters "x", "y", or "z".
E: Fix balance rcb cannot be used with comm_style brick
Comm_style tiled must be used instead.
E: Cannot open fix balance output file
Self-explanatory.
*/

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