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root/OpenMD/trunk/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 368 by gezelter, Fri Feb 18 15:58:55 2005 UTC vs.
Revision 1292 by chuckv, Fri Sep 12 20:51:22 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 + #include "integrators/SMIPDynamics.hpp"
57 +
58   #include "minimizers/MinimizerFactory.hpp"
59   #include "minimizers/MinimizerCreator.hpp"
60   #include "minimizers/PRCG.hpp"
# Line 57 | Line 63
63   #include "UseTheForce/EAM_FF.hpp"
64   #include "UseTheForce/ForceFieldFactory.hpp"
65   #include "UseTheForce/ForceFieldCreator.hpp"
66 + #include "UseTheForce/SHAPES_FF.hpp"
67 + #include "UseTheForce/SC_FF.hpp"
68 + #include "UseTheForce/MnM_FF.hpp"
69 + #include "UseTheForce/CLAYFF.hpp"
70 + #include "UseTheForce/Amber_FF.hpp"
71 + #include "lattice/LatticeFactory.hpp"
72 + #include "lattice/LatticeCreator.hpp"
73 + #include "lattice/FCCLattice.hpp"
74  
75   namespace oopse {
76  
77  
78 < void registerForceFields() {
78 >  void registerForceFields() {
79      /** @todo move to a seperate initialization module */
80      //DUFF, WATER and LJ are merged into one force field
81      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("DUFF"));
# Line 69 | Line 83 | void registerForceFields() {
83      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
84      //in theory, EAM can also be merged
85      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
86 < }
87 <
88 < void registerIntegrators() {
86 >    //heck, that worked...  let's try merging SHAPES
87 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
88 >    //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
89 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
90 >    //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
91 >    //That sounds like a good idea right......
92 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
93 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
94 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber"));
95 >  }
96 >  
97 >  void registerIntegrators() {
98      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
99      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
100 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi"));
101 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf"));
102 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz"));
103 < }
100 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI"));
101 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF"));
102 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ"));
103 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
104 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
105 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
106 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT"));
107 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
108 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
109 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
110 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<SMIPDynamics>("SMIPD"));
111 >  }
112  
113 < void registerMinimizers() {
113 >  void registerMinimizers() {
114      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<SDMinimizer>("SD"));
115      MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG"));
116 < }
116 >  }
117  
118 < void registerAll() {
118 >  void registerLattice(){
119 >    LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC"));
120 >  }
121 >
122 >  void registerAll() {
123      registerForceFields();
124      registerIntegrators();
125      registerMinimizers();
126 < }
126 >  }
127  
128   }

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