# | 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] Vardeman & Gezelter, in progress (2009). |
39 | * | |
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: Triangle.cpp,v 1.4 2009-11-25 20:02:01 gezelter Exp $ |
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; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |