35 |
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* |
36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [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 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
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*/ |
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)){ |