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compute_sum.h
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Created
Sat, Nov 16, 10:26
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text/x-c
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Mon, Nov 18, 10:26 (1 d, 22 h)
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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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