1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
/*----------------------------------------------------------------------
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 "reaxc_types.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