--- trunk/src/brains/Register.cpp 2005/05/19 04:28:26 536 +++ trunk/src/brains/Register.cpp 2008/01/23 03:45:33 1210 @@ -51,6 +51,8 @@ #include "integrators/NPTxyz.hpp" #include "integrators/NPAT.hpp" #include "integrators/NPrT.hpp" +#include "integrators/NgammaT.hpp" +#include "integrators/LangevinDynamics.hpp" #include "minimizers/MinimizerFactory.hpp" #include "minimizers/MinimizerCreator.hpp" @@ -61,6 +63,9 @@ #include "UseTheForce/ForceFieldFactory.hpp" #include "UseTheForce/ForceFieldCreator.hpp" #include "UseTheForce/SHAPES_FF.hpp" +#include "UseTheForce/SC_FF.hpp" +#include "UseTheForce/MnM_FF.hpp" +#include "UseTheForce/CLAYFF.hpp" #include "lattice/LatticeFactory.hpp" #include "lattice/LatticeCreator.hpp" #include "lattice/FCCLattice.hpp" @@ -78,17 +83,28 @@ namespace oopse { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("EAM")); //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). + 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")); } void registerIntegrators() { IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NVE")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NVT")); - IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTi")); - IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTf")); - IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTxyz")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTI")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTF")); + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPTXYZ")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPAT")); - IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NPrT")); + 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")); + }