--- branches/development/src/brains/Register.cpp 2011/11/22 20:38:56 1665 +++ branches/development/src/brains/Register.cpp 2012/05/26 18:13:43 1725 @@ -63,43 +63,12 @@ #include "minimizers/MinimizerCreator.hpp" #include "minimizers/PRCG.hpp" #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" -#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" namespace OpenMD { - - void registerForceFields() { - /** @todo move to a seperate initialization module */ - //DUFF, WATER and LJ are merged into one force field - ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("DUFF")); - ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("WATER")); - 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). - 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")); @@ -130,7 +99,6 @@ namespace OpenMD { } void registerAll() { - registerForceFields(); registerIntegrators(); registerMinimizers(); }