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root/OpenMD/trunk/src/brains/Register.cpp
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Comparing trunk/src/brains/Register.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1604 by jmichalk, Mon Aug 8 18:53:40 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 102 | Line 105 | namespace OpenMD {
105      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI"));
106      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF"));
107      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ"));
108 +    IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTsz>("NPTSZ"));
109      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT"));
110      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT"));
111      IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT"));
# Line 110 | 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  

Comparing trunk/src/brains/Register.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1604 by jmichalk, Mon Aug 8 18:53:40 2011 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

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