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root/OpenMD/trunk/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 1024 by tim, Wed Aug 30 18:42:29 2006 UTC vs.
Revision 1153 by chuckv, Mon Jul 9 21:03:53 2007 UTC

# Line 51 | Line 51
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"
# Line 63 | Line 64
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"
# Line 75 | Line 77
77   #include "openbabel/pdbformat.hpp"
78   //#include "openbabel/povrayformat.hpp"
79   //#include "openbabel/smilesformat.hpp"
80 < #include "openbabel/tinkerformat.hpp"
80 > //#include "openbabel/tinkerformat.hpp"
81   #include "openbabel/xyzformat.hpp"
82  
83  
# Line 94 | Line 96 | namespace oopse {
96      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
97      //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
98      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
99 +                //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
100 +                //That sounds like a good idea right......
101 +                ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
102      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
103    }
104  
# Line 106 | Line 111 | namespace oopse {
111      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
112      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
113      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
114 +    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT"));
115 +    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
116      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
117      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
118      
# Line 128 | Line 135 | namespace oopse {
135      static OpenBabel::PDBFormat pdbFormatInstance;
136      //static OpenBabel::PovrayFormat povaryFormatInstance;
137      //static OpenBabel::SMIFormat smilesFormatInstance;
138 <    static OpenBabel::TinkerFormat tinkerFormatInstance;
138 >    //static OpenBabel::TinkerFormat tinkerFormatInstance;
139      static OpenBabel::XYZFormat xyzFormatInstance;    
140    }
141    

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