--- trunk/src/brains/Register.cpp 2005/04/15 22:04:00 507 +++ trunk/src/brains/Register.cpp 2005/11/14 21:29:36 728 @@ -49,6 +49,9 @@ #include "integrators/NPTi.hpp" #include "integrators/NPTf.hpp" #include "integrators/NPTxyz.hpp" +#include "integrators/NPAT.hpp" +#include "integrators/NPrT.hpp" + #include "minimizers/MinimizerFactory.hpp" #include "minimizers/MinimizerCreator.hpp" #include "minimizers/PRCG.hpp" @@ -57,6 +60,8 @@ #include "UseTheForce/EAM_FF.hpp" #include "UseTheForce/ForceFieldFactory.hpp" #include "UseTheForce/ForceFieldCreator.hpp" +#include "UseTheForce/SHAPES_FF.hpp" +#include "UseTheForce/SC_FF.hpp" #include "lattice/LatticeFactory.hpp" #include "lattice/LatticeCreator.hpp" #include "lattice/FCCLattice.hpp" @@ -72,14 +77,21 @@ namespace oopse { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("LJ")); //in theory, EAM can also be merged 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")); } 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")); + } void registerMinimizers() {