| 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 |
|
/** |
| 440 |
|
unsigned int nrow_; |
| 441 |
|
unsigned int ncol_; |
| 442 |
|
private: |
| 443 |
< |
void allocate(int nrow, int ncol) { |
| 444 |
< |
nrow_ = nrow; |
| 445 |
< |
ncol_ = ncol; |
| 446 |
< |
data_ = new Real*[nrow_]; |
| 447 |
< |
for (int i = 0; i < nrow_; ++i) |
| 448 |
< |
data_[i] = new Real[ncol_]; |
| 449 |
< |
} |
| 450 |
< |
|
| 443 |
> |
void allocate( int nrow, int ncol ) { |
| 444 |
> |
nrow_ = (unsigned int) nrow; |
| 445 |
> |
ncol_ = (unsigned int) ncol; |
| 446 |
> |
data_ = new Real*[nrow_]; |
| 447 |
> |
for (unsigned int i = 0; i < nrow_; ++i) |
| 448 |
> |
data_[i] = new Real[ncol_]; |
| 449 |
> |
} |
| 450 |
> |
|
| 451 |
|
void deallocate() { |
| 452 |
< |
for (int i = 0; i < nrow_; ++i) |
| 452 |
> |
for (unsigned int i = 0; i < nrow_; ++i) |
| 453 |
|
delete data_[i]; |
| 454 |
|
delete []data_; |
| 455 |
< |
|
| 455 |
> |
|
| 456 |
|
nrow_ = 0; |
| 457 |
|
ncol_ = 0; |
| 458 |
|
data_ = NULL; |
