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; |