| 35 |
|
* |
| 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). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 371 |
|
//// this is NEVER called |
| 372 |
|
if ( i >= VTK_MAX_ROTATIONS ) { |
| 373 |
|
std::cout << "vtkMath::Jacobi: Error extracting eigenfunctions" << std::endl; |
| 374 |
+ |
if (n > 4) { |
| 375 |
+ |
delete[] b; |
| 376 |
+ |
delete[] z; |
| 377 |
+ |
} |
| 378 |
|
return 0; |
| 379 |
|
} |
| 380 |
|
|