| 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 |
|
*/ |
| 88 |
|
} |
| 89 |
|
|
| 90 |
|
bool setData(const std::string& keyword, const std::string& value) { |
| 91 |
< |
bool result; |
| 91 |
> |
bool result(false); |
| 92 |
|
ParamMap::iterator i =parameters_.find(keyword); |
| 93 |
|
if (i != parameters_.end()) { |
| 94 |
|
if(isInteger(value)){ |