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/* Copyright (c) 2008 The University of Notre Dame. All Rights Reserved. | 
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/* Copyright (c) 2008, 2010 The University of Notre Dame. All Rights Reserved. | 
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 * | 
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 * The University of Notre Dame grants you ("Licensee") a | 
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 * non-exclusive, royalty free, license to use, modify and | 
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 *                                                                       | 
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 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
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 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
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 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
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 * [4]  Vardeman & Gezelter, in progress (2009).                         | 
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 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).           | 
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 * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
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 * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * | 
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 *  Triangle.cpp | 
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 *  Purpose: Provide basic triangle object for OpenMD | 
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 *  Created by Charles F. Vardeman II on 29 July 2008. | 
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 *  @author  Charles F. Vardeman II | 
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 *  @version $Id: Triangle.cpp,v 1.4 2009-11-25 20:02:01 gezelter Exp $ | 
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 *  @version $Id$ | 
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 */ | 
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using namespace OpenMD; | 
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Triangle::Triangle() : HaveNormal_(false), HaveCentroid_(false), | 
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Triangle::Triangle() : HaveNormal_(false), HaveUnitNormal_(false), HaveCentroid_(false), | 
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                       HaveArea_(false), area_(0.0), normal_(V3Zero),  | 
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                       centroid_(V3Zero), facetVelocity_(V3Zero), mass_(0.0), | 
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                       a_(V3Zero), b_(V3Zero), c_(V3Zero){ | 
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  area_ = getNormal().length() * 0.5; | 
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  return area_; | 
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} | 
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// This should return the normal for our calculations. | 
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Vector3d Triangle::computeNormal(){ | 
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  HaveNormal_ = true; | 
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  normal_ = cross(a_,b_); | 
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  return normal_; | 
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} | 
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// This should return the normal for our calculations. | 
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Vector3d Triangle::computeUnitNormal(){ | 
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  HaveUnitNormal_ = true; | 
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  unitnormal_ = cross(a_,b_); | 
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  unitnormal_.normalize(); | 
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  return unitnormal_; | 
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} | 
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Vector3d Triangle::computeCentroid(){ | 
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  HaveCentroid_ = true; | 
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  centroid_ = (vertices_[0] + vertices_[1] + vertices_[2])/3.0; | 
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  centroid_ = (vertices_[0] + vertices_[1] + vertices_[2])/RealType(3.0); | 
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  return centroid_; | 
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} | 
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                               const Vector3d& rj2, | 
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                               RealType s, RealType viscosity){ | 
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  Vector3d v2 = (rj0 + rj1 + rj2)/3.0;  // sub-centroid | 
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  Vector3d v2 = (rj0 + rj1 + rj2) / RealType(3.0);  // sub-centroid | 
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  Vector3d dr = ri - v2;                // real centroid to sub-centroid | 
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  RealType l2 = 1.0/dr.lengthSquare();   | 
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  RealType l2 = RealType(1.0)/dr.lengthSquare();   | 
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  Mat3x3d G; | 
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  G = (SquareMatrix3<RealType>::identity() + outProduct(dr,dr)*l2)*sqrt(l2); | 
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  G = (SquareMatrix3<RealType>::identity() + outProduct(dr,dr)*l2)*RealType(sqrt(l2)); | 
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  G *= 0.125/3.14159285358979; | 
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  G *= s/viscosity; |