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root/OpenMD/branches/development/src/math/SquareMatrix.hpp

Comparing:
trunk/src/math/SquareMatrix.hpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/math/SquareMatrix.hpp (file contents), Revision 1787 by gezelter, Wed Aug 29 18:13:11 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 132 | Line 133 | namespace OpenMD {
133		for (unsigned int i = 0; i < Dim ; i++)
134		tmp += this->data_[i][i];
135
136	+	return tmp;
137	+	}
138	+
139	+	/**
140	+	* Returns the tensor contraction (double dot product) of two rank 2
141	+	* tensors (or Matrices)
142	+	* @param t1 first tensor
143	+	* @param t2 second tensor
144	+	* @return the tensor contraction (double dot product) of t1 and t2
145	+	*/
146	+	Real doubleDot( const SquareMatrix<Real, Dim>& t1, const SquareMatrix<Real, Dim>& t2 ) {
147	+	Real tmp;
148	+	tmp = 0;
149	+
150	+	for (unsigned int i = 0; i < Dim; i++)
151	+	for (unsigned int j =0; j < Dim; j++)
152	+	tmp += t1[i][j] * t2[i][j];
153	+
154		return tmp;
155		}
156
#	Line 162 | Line 181 | namespace OpenMD {
181		return false;
182
183		return true;
184	+	}
185	+
186	+	/**
187	+	* Returns a column vector that contains the elements from the
188	+	* diagonal of m in the order R(0) = m(0,0), R(1) = m(1,1), and so
189	+	* on.
190	+	*/
191	+	Vector<Real, Dim> diagonals() const {
192	+	Vector<Real, Dim> result;
193	+	for (unsigned int i = 0; i < Dim; i++) {
194	+	result(i) = this->data_[i][i];
195	+	}
196	+	return result;
197		}
198
199		/** Tests if this matrix is the unit matrix. */

Comparing:
trunk/src/math/SquareMatrix.hpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/math/SquareMatrix.hpp (property svn:keywords), Revision 1787 by gezelter, Wed Aug 29 18:13:11 2012 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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