[ViewVC] Diff of: OpenMD/branches/development/src/math/SquareMatrix3.hpp

Comparing:
trunk/src/math/SquareMatrix3.hpp (file contents), Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
branches/development/src/math/SquareMatrix3.hpp (file contents), Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC

#	Line 36 \| Line 36
36		* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4] Vardeman & Gezelter, in progress (2009).
39	>	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40	>	* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 47 \| Line 48
48		*/
49		#ifndef MATH_SQUAREMATRIX3_HPP
50		#define MATH_SQUAREMATRIX3_HPP
51	+	#include "config.h"
52	+	#include <cmath>
53		#include <vector>
54		#include "Quaternion.hpp"
55		#include "SquareMatrix.hpp"
#	Line 109 \| Line 112 \| namespace OpenMD {
112		return *this;
113		}
114
115	+
116		/**
117		* Sets this matrix to a rotation matrix by three euler angles
118		* @ param euler
#	Line 185 \| Line 189 \| namespace OpenMD {
189
190
191		}
188	–
192
193
194		/**
#	Line 417 \| Line 420 \| namespace OpenMD {
420		Vector3<Real> v_maxI, v_k, v_j;
421
422		// diagonalize using Jacobi
423	<	jacobi(a, w, v);
423	>	SquareMatrix3<Real>::jacobi(a, w, v);
424		// if all the eigenvalues are the same, return identity matrix
425		if (w[0] == w[1] && w[0] == w[2] ) {
426		v = SquareMatrix3<Real>::identity();

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