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root/OpenMD/branches/development/src/brains/Register.cpp
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Comparing branches/development/src/brains/Register.cpp (file contents):
Revision 1725 by gezelter, Sat May 26 18:13:43 2012 UTC vs.
Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

# Line 35 | Line 35
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   */
# Line 59 | Line 59
59   #include "integrators/LangevinHullDynamics.hpp"
60   #endif
61  
62 < #include "minimizers/MinimizerFactory.hpp"
63 < #include "minimizers/MinimizerCreator.hpp"
64 < #include "minimizers/PRCG.hpp"
65 < #include "minimizers/SDMinimizer.hpp"
62 > #include "optimization/OptimizationFactory.hpp"
63 > #include "optimization/OptimizationCreator.hpp"
64 > #include "optimization/Method.hpp"
65 > #include "optimization/SteepestDescent.hpp"
66 > #include "optimization/ConjugateGradient.hpp"
67 > #include "optimization/BFGS.hpp"
68 >
69   #include "lattice/LatticeFactory.hpp"
70   #include "lattice/LatticeCreator.hpp"
71   #include "lattice/FCCLattice.hpp"
72  
73 + using namespace QuantLib;
74   namespace OpenMD {
75  
76    void registerIntegrators() {
# Line 89 | Line 93 | namespace OpenMD {
93   #endif
94    }
95  
96 <  void registerMinimizers() {
97 <    MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
98 <    MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
96 >  void registerOptimizers() {
97 >    OptimizationFactory::getInstance()->registerOptimization(new OptimizationBuilder<QuantLib::SteepestDescent>("SD"));
98 >    OptimizationFactory::getInstance()->registerOptimization(new OptimizationBuilder<QuantLib::ConjugateGradient>("CG"));
99 >    OptimizationFactory::getInstance()->registerOptimization(new OptimizationBuilder<QuantLib::BFGS>("BFGS"));
100    }
101  
102    void registerLattice(){
# Line 100 | Line 105 | namespace OpenMD {
105  
106    void registerAll() {
107      registerIntegrators();
108 <    registerMinimizers();
108 >    registerOptimizers();
109    }
110  
111   }

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