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Comparing branches/development/src/math/SquareMatrix.hpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
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. */

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