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 |
|
/** |
233 |
|
/** |
234 |
|
* Tests if this matrix is identical to matrix m |
235 |
|
* @return true if this matrix is equal to the matrix m, return false otherwise |
236 |
< |
* @m matrix to be compared |
236 |
> |
* @param m matrix to be compared |
237 |
|
* |
238 |
|
* @todo replace operator == by template function equal |
239 |
|
*/ |
250 |
|
/** |
251 |
|
* Tests if this matrix is not equal to matrix m |
252 |
|
* @return true if this matrix is not equal to the matrix m, return false otherwise |
253 |
< |
* @m matrix to be compared |
253 |
> |
* @param m matrix to be compared |
254 |
|
*/ |
255 |
|
bool operator !=(const DynamicRectMatrix<Real> m) { |
256 |
|
return !(*this == m); |
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_]; |
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 |
< |
|
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; |