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lammps/src/USER-REAXC/reaxc_vector.h
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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"
int Vector_isZero( real*, int );
void Vector_MakeZero( real*, int );
void Vector_Copy( real*, real*, int );
void Vector_Scale( real*, real, real*, int );
void Vector_Sum( real*, real, real*, real, real*, int );
void Vector_Add( real*, real, real*, int );
real Dot( real*, real*, int );
real Norm( real*, int );
void Vector_Print( FILE*, char*, real*, int );
void rvec_Copy( rvec, rvec );
void rvec_Scale( rvec, real, rvec );
void rvec_Add( rvec, rvec );
void rvec_ScaledAdd( rvec, real, rvec );
void rvec_Sum( rvec, rvec, rvec );
void rvec_ScaledSum( rvec, real, rvec, real, rvec );
real rvec_Dot( rvec, rvec );
real rvec_ScaledDot( real, rvec, real, rvec );
void rvec_Multiply( rvec, rvec, rvec );
void rvec_iMultiply( rvec, ivec, rvec );
void rvec_Divide( rvec, rvec, rvec );
void rvec_iDivide( rvec, rvec, ivec );
void rvec_Invert( rvec, rvec );
void rvec_Cross( rvec, rvec, rvec );
void rvec_OuterProduct( rtensor, rvec, rvec );
real rvec_Norm_Sqr( rvec );
real rvec_Norm( rvec );
int rvec_isZero( rvec );
void rvec_MakeZero( rvec );
void rvec_Random( rvec );
void rtensor_MakeZero( rtensor );
void rtensor_Multiply( rtensor, rtensor, rtensor );
void rtensor_MatVec( rvec, rtensor, rvec );
void rtensor_Scale( rtensor, real, rtensor );
void rtensor_Add( rtensor, rtensor );
void rtensor_ScaledAdd( rtensor, real, rtensor );
void rtensor_Sum( rtensor, rtensor, rtensor );
void rtensor_ScaledSum( rtensor, real, rtensor, real, rtensor );
void rtensor_Scale( rtensor, real, rtensor );
void rtensor_Copy( rtensor, rtensor );
void rtensor_Identity( rtensor );
void rtensor_Transpose( rtensor, rtensor );
real rtensor_Det( rtensor );
real rtensor_Trace( rtensor );
void Print_rTensor(FILE*,rtensor);
int ivec_isZero( ivec );
int ivec_isEqual( ivec, ivec );
void ivec_MakeZero( ivec );
void ivec_Copy( ivec, ivec );
void ivec_Scale( ivec, real, ivec );
void ivec_rScale( ivec, real, rvec );
void ivec_Sum( ivec, ivec, ivec );
void ivec_ScaledSum( ivec, int, ivec, int, ivec );
void ivec_Add( ivec, ivec );
void ivec_ScaledAdd( ivec, int, ivec );
void ivec_Max( ivec, ivec, ivec );
void ivec_Max3( ivec, ivec, ivec, ivec );
#endif
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