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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 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
branches/development/src/brains/Register.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #include "brains/Register.hpp"
# Line 49 | Line 50
50   #include "integrators/NPTi.hpp"
51   #include "integrators/NPTf.hpp"
52   #include "integrators/NPTxyz.hpp"
53 + #include "integrators/NPTsz.hpp"
54   #include "integrators/NPAT.hpp"
55   #include "integrators/NPrT.hpp"
56   #include "integrators/NgammaT.hpp"
57   #include "integrators/LangevinDynamics.hpp"
58   #if defined(HAVE_QHULL)
59 < #include "integrators/SMIPDynamics.hpp"
59 > #include "integrators/LangevinHullDynamics.hpp"
60   #endif
61  
62   #include "minimizers/MinimizerFactory.hpp"
# Line 63 | Line 65
65   #include "minimizers/SDMinimizer.hpp"
66   #include "UseTheForce/DUFF.hpp"
67   #include "UseTheForce/EAM_FF.hpp"
68 + #include "UseTheForce/EADM_FF.hpp"
69   #include "UseTheForce/ForceFieldFactory.hpp"
70   #include "UseTheForce/ForceFieldCreator.hpp"
71   #include "UseTheForce/SHAPES_FF.hpp"
# Line 85 | Line 88 | namespace OpenMD {
88      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ"));
89      //in theory, EAM can also be merged
90      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM"));
91 +    ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EADM_FF>("EADM"));
92      //heck, that worked...  let's try merging SHAPES
93      ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES"));
94      //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not).
# 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  

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