--- branches/development/src/math/SquareMatrix.hpp 2012/10/22 20:42:10 1808 +++ branches/development/src/math/SquareMatrix.hpp 2013/05/15 15:09:35 1874 @@ -35,7 +35,7 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ @@ -371,6 +371,10 @@ namespace OpenMD { //// this is NEVER called if ( i >= VTK_MAX_ROTATIONS ) { std::cout << "vtkMath::Jacobi: Error extracting eigenfunctions" << std::endl; + if (n > 4) { + delete[] b; + delete[] z; + } return 0; }