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root/OpenMD/trunk/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 1519 by gezelter, Tue Oct 26 14:27:28 2010 UTC vs.
Revision 1604 by jmichalk, Mon Aug 8 18:53:40 2011 UTC

# Line 55 | Line 55
55   #include "integrators/NgammaT.hpp"
56   #include "integrators/LangevinDynamics.hpp"
57   #if defined(HAVE_QHULL)
58 < #include "integrators/SMIPDynamics.hpp"
58 > #include "integrators/LangevinHullDynamics.hpp"
59   #endif
60  
61   #include "minimizers/MinimizerFactory.hpp"
# Line 64 | Line 64
64   #include "minimizers/SDMinimizer.hpp"
65   #include "UseTheForce/DUFF.hpp"
66   #include "UseTheForce/EAM_FF.hpp"
67 + #include "UseTheForce/EADM_FF.hpp"
68   #include "UseTheForce/ForceFieldFactory.hpp"
69   #include "UseTheForce/ForceFieldCreator.hpp"
70   #include "UseTheForce/SHAPES_FF.hpp"
# Line 86 | Line 87 | namespace OpenMD {
87      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
88      //in theory, EAM can also be merged
89      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
90 +    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EADM_FF>("EADM"));
91      //heck, that worked...  let's try merging SHAPES
92      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
93      //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
# Line 112 | Line 114 | namespace OpenMD {
114      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
115      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
116   #if defined(HAVE_QHULL)
117 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<SMIPDynamics>("SMIPD"));
117 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LHULL"));
118 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LANGEVINHULL"));
119 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("SMIPD"));
120   #endif
121    }
122  

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