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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 1210 by gezelter, Wed Jan 23 03:45:33 2008 UTC vs.
Revision 1297 by skuang, Fri Sep 26 18:54:04 2008 UTC

# Line 53 | Line 53
53   #include "integrators/NPrT.hpp"
54   #include "integrators/NgammaT.hpp"
55   #include "integrators/LangevinDynamics.hpp"
56 + #if defined(HAVE_QHULL)
57 + #include "integrators/SMIPDynamics.hpp"
58 + #endif
59  
60   #include "minimizers/MinimizerFactory.hpp"
61   #include "minimizers/MinimizerCreator.hpp"
# Line 66 | Line 69
69   #include "UseTheForce/SC_FF.hpp"
70   #include "UseTheForce/MnM_FF.hpp"
71   #include "UseTheForce/CLAYFF.hpp"
72 + #include "UseTheForce/Amber_FF.hpp"
73   #include "lattice/LatticeFactory.hpp"
74   #include "lattice/LatticeCreator.hpp"
75   #include "lattice/FCCLattice.hpp"
# Line 85 | Line 89 | namespace oopse {
89      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
90      //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
91      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC"));
92 <                //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
93 <                //That sounds like a good idea right......
94 <                ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
92 >    //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM.
93 >    //That sounds like a good idea right......
94 >    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM"));
95      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY"));
96 +    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber"));
97    }
98 <
98 >  
99    void registerIntegrators() {
100      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE"));
101      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT"));
# Line 104 | Line 109 | namespace oopse {
109      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
110      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
111      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
112 <    
113 <
112 > #if defined(HAVE_QHULL)
113 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<SMIPDynamics>("SMIPD"));
114 > #endif
115    }
116  
117    void registerMinimizers() {

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