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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 1024 by tim, Wed Aug 30 18:42:29 2006 UTC vs.
Revision 1084 by gezelter, Fri Oct 20 15:40:46 2006 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 75 | Line 76
76   #include "openbabel/pdbformat.hpp"
77   //#include "openbabel/povrayformat.hpp"
78   //#include "openbabel/smilesformat.hpp"
79 < #include "openbabel/tinkerformat.hpp"
79 > //#include "openbabel/tinkerformat.hpp"
80   #include "openbabel/xyzformat.hpp"
81  
82  
# Line 106 | Line 107 | namespace oopse {
107      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
108      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
109      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
110 +    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT"));
111 +    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT"));
112      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
113      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
114      
# Line 128 | Line 131 | namespace oopse {
131      static OpenBabel::PDBFormat pdbFormatInstance;
132      //static OpenBabel::PovrayFormat povaryFormatInstance;
133      //static OpenBabel::SMIFormat smilesFormatInstance;
134 <    static OpenBabel::TinkerFormat tinkerFormatInstance;
134 >    //static OpenBabel::TinkerFormat tinkerFormatInstance;
135      static OpenBabel::XYZFormat xyzFormatInstance;    
136    }
137    

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