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compute_sum.h
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Sat, Nov 16, 10:26
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rLAMMPS lammps
compute_sum.h
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/* ----------------------------------------------------------------------
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 COMPUTE_SUM_H
#define COMPUTE_SUM_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeSum : public Compute {
public:
ComputeSum(class LAMMPS *, int, char **);
~ComputeSum();
void init();
double compute_scalar();
void compute_vector();
double memory_usage();
private:
int nvalues;
int *which,*argindex,*value2index;
char **ids;
double *onevec;
int maxatom;
double *varatom;
double compute_one(int);
};
}
#endif
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