[ViewVC] Diff of: OpenMD/trunk/src/math/Triangle.cpp

Comparing trunk/src/math/Triangle.cpp (file contents):
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 35 \| Line 35
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).
38	>	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
39	>	* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
40		*
40	–	*
41		* Triangle.cpp
42		*
43		* Purpose: Provide basic triangle object for OpenMD
#	Line 92 \| Line 92 \| Vector3d Triangle::computeCentroid(){
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 126 \| 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;

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