| 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 |
|
/** |
| 159 |
|
* this Polynomial. |
| 160 |
|
* @return the coefficient associated with the given power for |
| 161 |
|
* this Polynomial |
| 162 |
< |
* @exponent exponent of any term in this Polynomial |
| 162 |
> |
* @param exponent exponent of any term in this Polynomial |
| 163 |
|
*/ |
| 164 |
|
Real getCoefficient(ExponentType exponent) { |
| 165 |
|
iterator i = polyPairMap_.find(exponent); |
| 274 |
|
* @return the first derivative of this polynomial |
| 275 |
|
*/ |
| 276 |
|
PolynomialType & getDerivative() { |
| 277 |
< |
Polynomial<Real> p(); |
| 277 |
> |
Polynomial<Real> p; |
| 278 |
|
|
| 279 |
|
typename Polynomial<Real>::const_iterator i; |
| 280 |
|
ExponentType exponent; |
| 631 |
|
*/ |
| 632 |
|
template<typename Real> |
| 633 |
|
Polynomial<Real> getDerivative(const Polynomial<Real>& p1) { |
| 634 |
< |
Polynomial<Real> p(); |
| 634 |
> |
Polynomial<Real> p; |
| 635 |
|
|
| 636 |
|
typename Polynomial<Real>::const_iterator i; |
| 637 |
|
int exponent; |