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fix_vector.h
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Created
Sat, Oct 19, 01:34
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1 KB
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text/x-c
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Mon, Oct 21, 01:34 (2 d)
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blob
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rLAMMPS lammps
fix_vector.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.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle
(
vector
,
FixVector
)
#else
#ifndef LMP_FIX_VECTOR_H
#define LMP_FIX_VECTOR_H
#include "fix.h"
namespace
LAMMPS_NS
{
class
FixVector
:
public
Fix
{
public:
FixVector
(
class
LAMMPS
*
,
int
,
char
**
);
~
FixVector
();
int
setmask
();
void
init
();
void
setup
(
int
);
void
end_of_step
();
double
compute_vector
(
int
);
double
compute_array
(
int
,
int
);
private:
int
nvalues
;
int
*
which
,
*
argindex
,
*
value2index
,
*
offcol
;
char
**
ids
;
int
ncount
;
// # of values currently in growing vector or array
double
*
vector
;
double
**
array
;
};
}
#endif
#endif
/* ERROR/WARNING messages:
*/
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