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Comparing:
trunk/src/math/Triangle.cpp (file contents), Revision 1344 by gezelter, Wed May 13 22:27:29 2009 UTC vs.
branches/development/src/math/Triangle.cpp (file contents), Revision 1668 by gezelter, Fri Jan 6 19:03:05 2012 UTC

# Line 1 | Line 1
1 < /* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved.
1 > /* Copyright (c) 2008, 2010 The University of Notre Dame. All Rights Reserved.
2   *
3   * The University of Notre Dame grants you ("Licensee") a
4   * non-exclusive, royalty free, license to use, modify and
5   * redistribute this software in source and binary code form, provided
6   * that the following conditions are met:
7   *
8 < * 1. Acknowledgement of the program authors must be made in any
9 < *    publication of scientific results based in part on use of the
10 < *    program.  An acceptable form of acknowledgement is citation of
11 < *    the article in which the program was described (Matthew
12 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
13 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
14 < *    Parallel Simulation Engine for Molecular Dynamics,"
15 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
16 < *
17 < * 2. Redistributions of source code must retain the above copyright
8 > * 1. Redistributions of source code must retain the above copyright
9   *    notice, this list of conditions and the following disclaimer.
10   *
11 < * 3. Redistributions in binary form must reproduce the above copyright
11 > * 2. Redistributions in binary form must reproduce the above copyright
12   *    notice, this list of conditions and the following disclaimer in the
13   *    documentation and/or other materials provided with the
14   *    distribution.
# Line 37 | Line 28
28   * University of Notre Dame has been advised of the possibility of
29   * such damages.
30   *
31 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
32 + * research, please cite the appropriate papers when you publish your
33 + * work.  Good starting points are:
34 + *                                                                      
35 + * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
36 + * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
37 + * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 + * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
39 + * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40   *
41   *  Triangle.cpp
42   *
43 < *  Purpose: Provide basic triangle object for OOPSE
43 > *  Purpose: Provide basic triangle object for OpenMD
44   *
45   *  Created by Charles F. Vardeman II on 29 July 2008.
46   *  @author  Charles F. Vardeman II
47 < *  @version $Id: Triangle.cpp,v 1.3 2009-05-13 22:27:29 gezelter Exp $
47 > *  @version $Id$
48   *
49   */
50  
51   #include "math/Triangle.hpp"
52  
53 < using namespace oopse;
53 > using namespace OpenMD;
54  
55  
56 < Triangle::Triangle() : HaveNormal_(false), HaveCentroid_(false),
56 > Triangle::Triangle() : HaveNormal_(false), HaveUnitNormal_(false), HaveCentroid_(false),
57                         HaveArea_(false), area_(0.0), normal_(V3Zero),
58                         centroid_(V3Zero), facetVelocity_(V3Zero), mass_(0.0),
59                         a_(V3Zero), b_(V3Zero), c_(V3Zero){
# Line 76 | Line 76 | RealType Triangle::computeArea(){
76    area_ = getNormal().length() * 0.5;
77    return area_;
78   }
79 <
79 > // This should return the normal for our calculations.
80   Vector3d Triangle::computeNormal(){
81    HaveNormal_ = true;
82    normal_ = cross(a_,b_);
83    return normal_;
84   }
85 + // This should return the normal for our calculations.
86 + Vector3d Triangle::computeUnitNormal(){
87 +  HaveUnitNormal_ = true;
88 +  unitnormal_ = cross(a_,b_);
89 +  unitnormal_.normalize();
90 +  return unitnormal_;
91 + }
92  
93   Vector3d Triangle::computeCentroid(){
94    HaveCentroid_ = true;
95 <  centroid_ = (vertices_[0] + vertices_[1] + vertices_[2])/3.0;
95 >  centroid_ = (vertices_[0] + vertices_[1] + vertices_[2])/RealType(3.0);
96    return centroid_;
97   }
98  
# Line 119 | Line 126 | Mat3x3d Triangle::hydro_tensor(
126                                 const Vector3d& rj2,
127                                 RealType s, RealType viscosity){
128    
129 <  Vector3d v2 = (rj0 + rj1 + rj2)/3.0;  // sub-centroid
129 >  Vector3d v2 = (rj0 + rj1 + rj2) / RealType(3.0);  // sub-centroid
130    Vector3d dr = ri - v2;                // real centroid to sub-centroid
131 <  RealType l2 = 1.0/dr.lengthSquare();  
131 >  RealType l2 = RealType(1.0)/dr.lengthSquare();  
132  
133    Mat3x3d G;
134 <  G = (SquareMatrix3<RealType>::identity() + outProduct(dr,dr)*l2)*sqrt(l2);
134 >  G = (SquareMatrix3<RealType>::identity() + outProduct(dr,dr)*l2)*RealType(sqrt(l2));
135  
136    G *= 0.125/3.14159285358979;
137    G *= s/viscosity;

Comparing:
trunk/src/math/Triangle.cpp (property svn:keywords), Revision 1344 by gezelter, Wed May 13 22:27:29 2009 UTC vs.
branches/development/src/math/Triangle.cpp (property svn:keywords), Revision 1668 by gezelter, Fri Jan 6 19:03:05 2012 UTC

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