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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 2184 by tim, Tue Apr 12 22:33:50 2005 UTC vs.
Revision 2427 by chuckv, Mon Nov 14 21:29:36 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 49 | Line 49
49   #include "integrators/NPTi.hpp"
50   #include "integrators/NPTf.hpp"
51   #include "integrators/NPTxyz.hpp"
52 + #include "integrators/NPAT.hpp"
53 + #include "integrators/NPrT.hpp"
54 +
55   #include "minimizers/MinimizerFactory.hpp"
56   #include "minimizers/MinimizerCreator.hpp"
57   #include "minimizers/PRCG.hpp"
# Line 57 | Line 60
60   #include "UseTheForce/EAM_FF.hpp"
61   #include "UseTheForce/ForceFieldFactory.hpp"
62   #include "UseTheForce/ForceFieldCreator.hpp"
63 + #include "UseTheForce/SHAPES_FF.hpp"
64 + #include "UseTheForce/SC_FF.hpp"
65   #include "lattice/LatticeFactory.hpp"
66   #include "lattice/LatticeCreator.hpp"
67   #include "lattice/FCCLattice.hpp"
# Line 64 | Line 69 | void registerForceFields() {
69   namespace oopse {
70  
71  
72 < void registerForceFields() {
72 >  void registerForceFields() {
73      /** @todo move to a seperate initialization module */
74      //DUFF, WATER and LJ are merged into one force field
75      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF"));
# Line 72 | Line 77 | void registerForceFields() {
77      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
78      //in theory, EAM can also be merged
79      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
80 < }
80 >    //heck, that worked...  let's try merging SHAPES
81 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
82 >    //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
83 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
84 >  }
85  
86 < void registerIntegrators() {
86 >  void registerIntegrators() {
87      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
88      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
89 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi"));
90 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf"));
91 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz"));
92 < }
89 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI"));
90 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF"));
91 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ"));
92 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
93 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
94  
95 < void registerMinimizers() {
95 >  }
96 >
97 >  void registerMinimizers() {
98      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
99      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
100 < }
100 >  }
101  
102 < void registerLattice(){
102 >  void registerLattice(){
103      LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
104 < }
104 >  }
105  
106 < void registerAll() {
106 >  void registerAll() {
107      registerForceFields();
108      registerIntegrators();
109      registerMinimizers();
110 < }
110 >  }
111  
112   }

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