# | Line 49 | Line 49 | |
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49 | #include "integrators/NPTi.hpp" | |
50 | #include "integrators/NPTf.hpp" | |
51 | #include "integrators/NPTxyz.hpp" | |
52 | + | #include "integrators/NPAT.hpp" |
53 | + | #include "integrators/NPrT.hpp" |
54 | + | |
55 | #include "minimizers/MinimizerFactory.hpp" | |
56 | #include "minimizers/MinimizerCreator.hpp" | |
57 | #include "minimizers/PRCG.hpp" | |
# | Line 58 | Line 61 | |
61 | #include "UseTheForce/ForceFieldFactory.hpp" | |
62 | #include "UseTheForce/ForceFieldCreator.hpp" | |
63 | #include "UseTheForce/SHAPES_FF.hpp" | |
64 | + | #include "UseTheForce/SC_FF.hpp" |
65 | #include "lattice/LatticeFactory.hpp" | |
66 | #include "lattice/LatticeCreator.hpp" | |
67 | #include "lattice/FCCLattice.hpp" | |
# | Line 75 | Line 79 | namespace oopse { | |
79 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); | |
80 | //heck, that worked... let's try merging SHAPES | |
81 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); | |
82 | < | |
82 | > | //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). |
83 | > | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC")); |
84 | } | |
85 | ||
86 | void registerIntegrators() { | |
87 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); | |
88 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); | |
89 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi")); |
90 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf")); |
91 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz")); |
89 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI")); |
90 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF")); |
91 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); |
92 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); |
93 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); |
94 | > | |
95 | } | |
96 | ||
97 | void registerMinimizers() { |
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