# | Line 51 | Line 51 | |
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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" | |
# | Line 61 | Line 63 | |
63 | #include "UseTheForce/ForceFieldFactory.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 "lattice/LatticeFactory.hpp" | |
70 | #include "lattice/LatticeCreator.hpp" | |
71 | #include "lattice/FCCLattice.hpp" | |
# | Line 78 | Line 83 | namespace oopse { | |
83 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); | |
84 | //heck, that worked... let's try merging SHAPES | |
85 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); | |
86 | < | |
86 | > | //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). |
87 | > | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC")); |
88 | > | //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. |
89 | > | //That sounds like a good idea right...... |
90 | > | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM")); |
91 | > | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY")); |
92 | } | |
93 | ||
94 | void registerIntegrators() { | |
95 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); | |
96 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); | |
97 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi")); |
98 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf")); |
99 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz")); |
97 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI")); |
98 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF")); |
99 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); |
100 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); | |
101 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPrT")); |
101 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); |
102 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT")); |
103 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGT")); |
104 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NgammaT>("NGAMMAT")); |
105 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS")); |
106 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD")); |
107 | > | |
108 | ||
109 | } | |
110 |
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