--- branches/development/src/brains/Register.cpp 2010/07/09 23:08:25 1465 +++ branches/development/src/brains/Register.cpp 2011/09/14 21:15:17 1629 @@ -49,12 +49,13 @@ #include "integrators/NPTi.hpp" #include "integrators/NPTf.hpp" #include "integrators/NPTxyz.hpp" +#include "integrators/NPTsz.hpp" #include "integrators/NPAT.hpp" #include "integrators/NPrT.hpp" #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" @@ -63,6 +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" @@ -85,6 +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). @@ -110,7 +113,9 @@ 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 }