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root/OpenMD/trunk/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 484 by tim, Tue Apr 12 21:58:09 2005 UTC vs.
Revision 1210 by gezelter, Wed Jan 23 03:45:33 2008 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 + #include "integrators/NgammaT.hpp"
55 + #include "integrators/LangevinDynamics.hpp"
56 +
57   #include "minimizers/MinimizerFactory.hpp"
58   #include "minimizers/MinimizerCreator.hpp"
59   #include "minimizers/PRCG.hpp"
# Line 57 | Line 62
62   #include "UseTheForce/EAM_FF.hpp"
63   #include "UseTheForce/ForceFieldFactory.hpp"
64   #include "UseTheForce/ForceFieldCreator.hpp"
65 + #include "UseTheForce/SHAPES_FF.hpp"
66 + #include "UseTheForce/SC_FF.hpp"
67 + #include "UseTheForce/MnM_FF.hpp"
68 + #include "UseTheForce/CLAYFF.hpp"
69   #include "lattice/LatticeFactory.hpp"
70   #include "lattice/LatticeCreator.hpp"
71 < #include "lattice/Lattice.hpp"
71 > #include "lattice/FCCLattice.hpp"
72  
73   namespace oopse {
74  
75  
76 < void registerForceFields() {
76 >  void registerForceFields() {
77      /** @todo move to a seperate initialization module */
78      //DUFF, WATER and LJ are merged into one force field
79      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF"));
# Line 72 | Line 81 | void registerForceFields() {
81      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
82      //in theory, EAM can also be merged
83      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
84 < }
84 >    //heck, that worked...  let's try merging SHAPES
85 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
86 >    //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
87 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
88 >                //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
89 >                //That sounds like a good idea right......
90 >                ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
91 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
92 >  }
93  
94 < void registerIntegrators() {
94 >  void registerIntegrators() {
95      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
96      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
97 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi"));
98 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf"));
99 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz"));
100 < }
97 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI"));
98 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF"));
99 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ"));
100 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
101 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
102 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
103 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT"));
104 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
105 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
106 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
107 >    
108  
109 < void registerMinimizers() {
109 >  }
110 >
111 >  void registerMinimizers() {
112      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
113      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
114 < }
114 >  }
115  
116 < void registerLattice(){
91 <    LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<CubicLattice>("CUBIC"));
116 >  void registerLattice(){
117      LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
118 < }
118 >  }
119  
120 < void registerAll() {
120 >  void registerAll() {
121      registerForceFields();
122      registerIntegrators();
123      registerMinimizers();
124 < }
124 >  }
125  
126   }

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