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root/OpenMD/branches/development/src/brains/Register.cpp
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Comparing branches/development/src/brains/Register.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

# Line 49 | Line 49
49   #include "integrators/NPTi.hpp"
50   #include "integrators/NPTf.hpp"
51   #include "integrators/NPTxyz.hpp"
52 + #include "integrators/NPTsz.hpp"
53   #include "integrators/NPAT.hpp"
54   #include "integrators/NPrT.hpp"
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 63 | 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 85 | 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 110 | Line 113 | namespace OpenMD {
113      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS"));
114      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD"));
115   #if defined(HAVE_QHULL)
116 <    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<SMIPDynamics>("SMIPD"));
116 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LHULL"));
117 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("LANGEVINHULL"));
118 >    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinHullDynamics>("SMIPD"));
119   #endif
120    }
121  

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