--- branches/development/src/math/Triangle.cpp 2010/07/09 23:08:25 1465 +++ branches/development/src/math/Triangle.cpp 2012/01/06 19:03:05 1668 @@ -35,9 +35,9 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * - * * Triangle.cpp * * Purpose: Provide basic triangle object for OpenMD @@ -92,7 +92,7 @@ Vector3d Triangle::computeCentroid(){ Vector3d Triangle::computeCentroid(){ HaveCentroid_ = true; - centroid_ = (vertices_[0] + vertices_[1] + vertices_[2])/3.0; + centroid_ = (vertices_[0] + vertices_[1] + vertices_[2])/RealType(3.0); return centroid_; } @@ -126,12 +126,12 @@ Mat3x3d Triangle::hydro_tensor( const Vector3d& rj2, RealType s, RealType viscosity){ - Vector3d v2 = (rj0 + rj1 + rj2)/3.0; // sub-centroid + Vector3d v2 = (rj0 + rj1 + rj2) / RealType(3.0); // sub-centroid Vector3d dr = ri - v2; // real centroid to sub-centroid - RealType l2 = 1.0/dr.lengthSquare(); + RealType l2 = RealType(1.0)/dr.lengthSquare(); Mat3x3d G; - G = (SquareMatrix3::identity() + outProduct(dr,dr)*l2)*sqrt(l2); + G = (SquareMatrix3::identity() + outProduct(dr,dr)*l2)*RealType(sqrt(l2)); G *= 0.125/3.14159285358979; G *= s/viscosity;