--- branches/development/src/math/SquareMatrix.hpp 2010/07/09 23:08:25 1465 +++ branches/development/src/math/SquareMatrix.hpp 2012/06/12 13:20:28 1753 @@ -36,7 +36,8 @@ * [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). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ /** @@ -132,9 +133,28 @@ namespace OpenMD { for (unsigned int i = 0; i < Dim ; i++) tmp += this->data_[i][i]; + return tmp; + } + + /** + * Returns the tensor contraction (double dot product) of two rank 2 + * tensors (or Matrices) + * @param t1 first tensor + * @param t2 second tensor + * @return the tensor contraction (double dot product) of t1 and t2 + */ + Real doubleDot( const SquareMatrix& t1, const SquareMatrix& t2 ) { + Real tmp; + tmp = 0; + + for (unsigned int i = 0; i < Dim; i++) + for (unsigned int j =0; j < Dim; j++) + tmp += t1[i][j] * t2[i][j]; + return tmp; } + /** Tests if this matrix is symmetrix. */ bool isSymmetric() const { for (unsigned int i = 0; i < Dim - 1; i++)