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reaxc_vector.h
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Created
Mon, Sep 30, 15:38
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1 KB
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text/x-c
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Wed, Oct 2, 15:38 (2 d)
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rLAMMPS lammps
reaxc_vector.h
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/*----------------------------------------------------------------------
PuReMD - Purdue ReaxFF Molecular Dynamics Program
Copyright (2010) Purdue University
Hasan Metin Aktulga, hmaktulga@lbl.gov
Joseph Fogarty, jcfogart@mail.usf.edu
Sagar Pandit, pandit@usf.edu
Ananth Y Grama, ayg@cs.purdue.edu
Please cite the related publication:
H. M. Aktulga, J. C. Fogarty, S. A. Pandit, A. Y. Grama,
"Parallel Reactive Molecular Dynamics: Numerical Methods and
Algorithmic Techniques", Parallel Computing, in press.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as
published by the Free Software Foundation; either version 2 of
the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
See the GNU General Public License for more details:
<http://www.gnu.org/licenses/>.
----------------------------------------------------------------------*/
#ifndef __VECTOR_H_
#define __VECTOR_H_
#include "pair.h"
#include "reaxc_types.h"
#include "reaxc_defs.h"
void
rvec_Copy
(
rvec
,
rvec
);
void
rvec_Scale
(
rvec
,
double
,
rvec
);
void
rvec_Add
(
rvec
,
rvec
);
void
rvec_ScaledAdd
(
rvec
,
double
,
rvec
);
void
rvec_ScaledSum
(
rvec
,
double
,
rvec
,
double
,
rvec
);
double
rvec_Dot
(
rvec
,
rvec
);
void
rvec_iMultiply
(
rvec
,
ivec
,
rvec
);
void
rvec_Cross
(
rvec
,
rvec
,
rvec
);
double
rvec_Norm_Sqr
(
rvec
);
double
rvec_Norm
(
rvec
);
void
rvec_MakeZero
(
rvec
);
void
rvec_Random
(
rvec
);
void
rtensor_MakeZero
(
rtensor
);
void
rtensor_MatVec
(
rvec
,
rtensor
,
rvec
);
void
ivec_MakeZero
(
ivec
);
void
ivec_Copy
(
ivec
,
ivec
);
void
ivec_Scale
(
ivec
,
double
,
ivec
);
void
ivec_Sum
(
ivec
,
ivec
,
ivec
);
#endif
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