| 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 |
|
*/ |
| 48 |
|
|
| 49 |
|
namespace OpenMD { |
| 50 |
|
MinimizerParameters::MinimizerParameters() { |
| 51 |
< |
DefineOptionalParameterWithDefaultValue(UseMinimizer, "useMinimizer", "false"); |
| 51 |
> |
DefineOptionalParameterWithDefaultValue(UseMinimizer, "useMinimizer", false); |
| 52 |
|
DefineOptionalParameterWithDefaultValue(Method, "method", "SD"); |
| 53 |
|
DefineOptionalParameterWithDefaultValue(MaxIterations, "maxIterations", 1000); |
| 54 |
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DefineOptionalParameterWithDefaultValue(MaxStationaryStateIterations, "maxStationaryStateIterations", 100); |