--- trunk/src/brains/Register.cpp 2005/11/14 21:29:36 728 +++ trunk/src/brains/Register.cpp 2008/09/26 18:54:04 1297 @@ -51,6 +51,11 @@ #include "integrators/NPTxyz.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" +#endif #include "minimizers/MinimizerFactory.hpp" #include "minimizers/MinimizerCreator.hpp" @@ -62,6 +67,9 @@ #include "UseTheForce/ForceFieldCreator.hpp" #include "UseTheForce/SHAPES_FF.hpp" #include "UseTheForce/SC_FF.hpp" +#include "UseTheForce/MnM_FF.hpp" +#include "UseTheForce/CLAYFF.hpp" +#include "UseTheForce/Amber_FF.hpp" #include "lattice/LatticeFactory.hpp" #include "lattice/LatticeCreator.hpp" #include "lattice/FCCLattice.hpp" @@ -81,8 +89,13 @@ namespace oopse { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SHAPES")); //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SC")); + //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. + //That sounds like a good idea right...... + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("MnM")); + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("CLAY")); + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("Amber")); } - + void registerIntegrators() { IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NVE")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NVT")); @@ -91,7 +104,14 @@ namespace oopse { IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTXYZ")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPAT")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPRT")); - + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPGT")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NGT")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NGAMMAT")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LANGEVINDYNAMICS")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LD")); +#if defined(HAVE_QHULL) + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("SMIPD")); +#endif } void registerMinimizers() {