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root/group/trunk/OOPSE-2.0/src/brains/Register.cpp
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Comparing trunk/OOPSE-2.0/src/brains/Register.cpp (file contents):
Revision 2181 by tim, Tue Apr 12 21:58:09 2005 UTC vs.
Revision 2211 by chrisfen, Thu Apr 21 14:12:19 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 57 | Line 57
57   #include "UseTheForce/EAM_FF.hpp"
58   #include "UseTheForce/ForceFieldFactory.hpp"
59   #include "UseTheForce/ForceFieldCreator.hpp"
60 + #include "UseTheForce/SHAPES_FF.hpp"
61   #include "lattice/LatticeFactory.hpp"
62   #include "lattice/LatticeCreator.hpp"
63 < #include "lattice/Lattice.hpp"
63 > #include "lattice/FCCLattice.hpp"
64  
65   namespace oopse {
66  
67  
68 < void registerForceFields() {
68 >  void registerForceFields() {
69      /** @todo move to a seperate initialization module */
70      //DUFF, WATER and LJ are merged into one force field
71      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF"));
# Line 72 | Line 73 | void registerForceFields() {
73      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
74      //in theory, EAM can also be merged
75      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
76 < }
76 >    //heck, that worked...  let's try merging SHAPES
77 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
78  
79 < void registerIntegrators() {
79 >  }
80 >
81 >  void registerIntegrators() {
82      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
83      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
84      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi"));
85      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf"));
86      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz"));
87 < }
87 >  }
88  
89 < void registerMinimizers() {
89 >  void registerMinimizers() {
90      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
91      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
92 < }
92 >  }
93  
94 < void registerLattice(){
91 <    LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<CubicLattice>("CUBIC"));
94 >  void registerLattice(){
95      LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
96 < }
96 >  }
97  
98 < void registerAll() {
98 >  void registerAll() {
99      registerForceFields();
100      registerIntegrators();
101      registerMinimizers();
102 < }
102 >  }
103  
104   }

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