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root/OpenMD/branches/development/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 487 by tim, Tue Apr 12 22:33:50 2005 UTC vs.
Revision 1269 by gezelter, Tue Jul 1 13:28:23 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 "UseTheForce/Amber_FF.hpp"
70   #include "lattice/LatticeFactory.hpp"
71   #include "lattice/LatticeCreator.hpp"
72   #include "lattice/FCCLattice.hpp"
# Line 64 | Line 74 | namespace oopse {
74   namespace oopse {
75  
76  
77 < void registerForceFields() {
77 >  void registerForceFields() {
78      /** @todo move to a seperate initialization module */
79      //DUFF, WATER and LJ are merged into one force field
80      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF"));
# Line 72 | Line 82 | void registerForceFields() {
82      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
83      //in theory, EAM can also be merged
84      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
85 < }
86 <
87 < void registerIntegrators() {
85 >    //heck, that worked...  let's try merging SHAPES
86 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
87 >    //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
88 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
89 >    //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
90 >    //That sounds like a good idea right......
91 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
92 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
93 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber"));
94 >  }
95 >  
96 >  void registerIntegrators() {
97      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
98      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
99 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi"));
100 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf"));
101 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz"));
102 < }
99 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI"));
100 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF"));
101 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ"));
102 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
103 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
104 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
105 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT"));
106 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
107 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
108 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
109 >    
110  
111 < void registerMinimizers() {
111 >  }
112 >
113 >  void registerMinimizers() {
114      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
115      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
116 < }
116 >  }
117  
118 < void registerLattice(){
118 >  void registerLattice(){
119      LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
120 < }
120 >  }
121  
122 < void registerAll() {
122 >  void registerAll() {
123      registerForceFields();
124      registerIntegrators();
125      registerMinimizers();
126 < }
126 >  }
127  
128   }

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