| 51 |  | #include "integrators/NPTxyz.hpp" | 
| 52 |  | #include "integrators/NPAT.hpp" | 
| 53 |  | #include "integrators/NPrT.hpp" | 
| 54 | + | #include "integrators/NgammaT.hpp" | 
| 55 | + | #include "integrators/LangevinDynamics.hpp" | 
| 56 |  |  | 
| 57 |  | #include "minimizers/MinimizerFactory.hpp" | 
| 58 |  | #include "minimizers/MinimizerCreator.hpp" | 
| 64 |  | #include "UseTheForce/ForceFieldCreator.hpp" | 
| 65 |  | #include "UseTheForce/SHAPES_FF.hpp" | 
| 66 |  | #include "UseTheForce/SC_FF.hpp" | 
| 67 | + | #include "UseTheForce/MnM_FF.hpp" | 
| 68 | + | #include "UseTheForce/CLAYFF.hpp" | 
| 69 | + | #include "UseTheForce/Amber_FF.hpp" | 
| 70 |  | #include "lattice/LatticeFactory.hpp" | 
| 71 |  | #include "lattice/LatticeCreator.hpp" | 
| 72 |  | #include "lattice/FCCLattice.hpp" | 
| 86 |  | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); | 
| 87 |  | //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). | 
| 88 |  | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC")); | 
| 89 | + | //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. | 
| 90 | + | //That sounds like a good idea right...... | 
| 91 | + | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM")); | 
| 92 | + | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY")); | 
| 93 | + | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber")); | 
| 94 |  | } | 
| 95 | < |  | 
| 95 | > |  | 
| 96 |  | void registerIntegrators() { | 
| 97 |  | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); | 
| 98 |  | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); | 
| 101 |  | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); | 
| 102 |  | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); | 
| 103 |  | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); | 
| 104 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT")); | 
| 105 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT")); | 
| 106 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT")); | 
| 107 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS")); | 
| 108 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD")); | 
| 109 | + |  | 
| 110 |  |  | 
| 111 |  | } | 
| 112 |  |  |