| 35 |
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* |
| 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 |
|
*/ |
| 53 |
|
namespace OpenMD { |
| 54 |
|
|
| 55 |
|
//forward declaration |
| 56 |
– |
class QuantLib::OptimizationMethod; |
| 56 |
|
class OptimizationCreator; |
| 57 |
|
class SimInfo; |
| 58 |
|
/** |
| 84 |
|
/** |
| 85 |
|
* Registers a creator with a type identifier |
| 86 |
|
* @return true if registration is succeed, otherwise return false |
| 87 |
< |
* @id the identification of the concrete object |
| 89 |
< |
* @creator the object responsible to create the concrete object |
| 87 |
> |
* @param creator the object responsible to create the concrete object |
| 88 |
|
*/ |
| 89 |
|
bool registerOptimization(OptimizationCreator* creator); |
| 90 |
|
|
| 93 |
|
* was previously registered, the function returns true. |
| 94 |
|
* @return truethe type identifier was previously registered and the creator is removed, |
| 95 |
|
* otherwise return false |
| 96 |
< |
* @id the identification of the concrete object |
| 96 |
> |
* @param id the identification of the concrete object |
| 97 |
|
*/ |
| 98 |
|
bool unregisterOptimization(const std::string& id); |
| 99 |
|
/** |
| 102 |
|
* @return a pointer of the concrete object, return NULL if no creator is registed for |
| 103 |
|
* creating this concrete object |
| 104 |
|
* @param id the identification of the concrete object |
| 105 |
+ |
* @param info pointer to the SimInfo object |
| 106 |
|
*/ |
| 107 |
|
QuantLib::OptimizationMethod* createOptimization(const std::string& id, SimInfo* info); |
| 108 |
|
|