--- trunk/src/brains/Register.cpp 2010/10/26 14:27:28 1519 +++ trunk/src/brains/Register.cpp 2011/08/08 18:53:40 1604 @@ -55,7 +55,7 @@ #include "integrators/NgammaT.hpp" #include "integrators/LangevinDynamics.hpp" #if defined(HAVE_QHULL) -#include "integrators/SMIPDynamics.hpp" +#include "integrators/LangevinHullDynamics.hpp" #endif #include "minimizers/MinimizerFactory.hpp" @@ -64,6 +64,7 @@ #include "minimizers/SDMinimizer.hpp" #include "UseTheForce/DUFF.hpp" #include "UseTheForce/EAM_FF.hpp" +#include "UseTheForce/EADM_FF.hpp" #include "UseTheForce/ForceFieldFactory.hpp" #include "UseTheForce/ForceFieldCreator.hpp" #include "UseTheForce/SHAPES_FF.hpp" @@ -86,6 +87,7 @@ namespace OpenMD { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("LJ")); //in theory, EAM can also be merged ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("EAM")); + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("EADM")); //heck, that worked... let's try merging SHAPES ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SHAPES")); //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). @@ -112,7 +114,9 @@ namespace OpenMD { IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LANGEVINDYNAMICS")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LD")); #if defined(HAVE_QHULL) - IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("SMIPD")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LHULL")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LANGEVINHULL")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("SMIPD")); #endif }