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Comparing trunk/src/math/Vector3.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
35 + *                                                                      
36 + * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37 + * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 + * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 + * [4]  Vardeman & Gezelter, in progress (2009).                        
40   */
41  
42   /**
# Line 54 | Line 54
54  
55   #include "Vector.hpp"
56  
57 < namespace oopse {
57 > namespace OpenMD {
58    
59    /**
60     * @class Vector3 Vector3.hpp "math/Vector3.hpp"
# Line 66 | Line 66 | namespace oopse {
66    public:
67      typedef Real ElemType;
68      typedef Real* ElemPoinerType;
69 –    
69      Vector3() : Vector<Real, 3>(){}
70      
71      /** Constructs and initializes a Vector3 from x, y, z coordinates */
72      inline Vector3( Real x, Real y, Real z) {
73 <      data_[0] = x;
74 <      data_[1] = y;
75 <      data_[2] = z;
73 >      this->data_[0] = x;
74 >      this->data_[1] = y;
75 >      this->data_[2] = z;
76      }
77  
78      /** Constructs and initializes from an array*/
# Line 91 | Line 90 | namespace oopse {
90       * Retunrs reference of the first element of Vector3.
91       * @return reference of the first element of Vector3
92       */
93 <    inline Real& x() {  return data_[0];}
93 >    inline Real& x() {  return this->data_[0];}
94      
95      /**
96       * Retunrs the first element of Vector3.
97       * @return  the first element of Vector3
98       */
99 <    inline Real x() const {  return data_[0];}
99 >    inline Real x() const {  return this->data_[0];}
100      
101      /**
102       * Retunrs reference of the second element of Vector3.
103       * @return reference of the second element of Vector3
104       */
105 <    inline Real& y() {  return data_[1];}
105 >    inline Real& y() {  return this->data_[1];}
106      
107      /**
108       * Retunrs  the second element of Vector3.
109       * @return c the second element of Vector3
110       */
111 <    inline Real y() const {  return data_[1];}
111 >    inline Real y() const {  return this->data_[1];}
112      
113      /**
114       * Retunrs reference of the third element of Vector3.
115       * @return reference of the third element of Vector3
116       */
117 <    inline Real& z() {  return data_[2];}
117 >    inline Real& z() {  return this->data_[2];}
118      
119      /**
120       * Retunrs  the third element of Vector3.
121       * @return f the third element of Vector3
122       */
123 <    inline Real z() const {  return data_[2];}
123 >    inline Real z() const {  return this->data_[2];}
124      
125    };
126    
# Line 145 | Line 144 | namespace oopse {
144  
145    typedef Vector3<int> Vector3i;
146    
147 <  typedef Vector3<double> Vector3d;    
147 >  typedef Vector3<RealType> Vector3d;    
148  
149 <    const Vector3d V3Zero(0.0 , 0.0, 0.0);
150 <    const Vector3d V3X( 1.0, 0.0, 0.0 ) ;
151 <    const Vector3d V3Y( 0.0, 1.0, 0.0 ) ;
152 <    const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ;    
149 >  const Vector3d V3Zero(0.0 , 0.0, 0.0);
150 >  const Vector3d V3X( 1.0, 0.0, 0.0 ) ;
151 >  const Vector3d V3Y( 0.0, 1.0, 0.0 ) ;
152 >  const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ;    
153    
154   }
155  

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