# | 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 57 | Line 60 | |
60 | #include "UseTheForce/EAM_FF.hpp" | |
61 | #include "UseTheForce/ForceFieldFactory.hpp" | |
62 | #include "UseTheForce/ForceFieldCreator.hpp" | |
63 | + | #include "UseTheForce/SHAPES_FF.hpp" |
64 | #include "lattice/LatticeFactory.hpp" | |
65 | #include "lattice/LatticeCreator.hpp" | |
66 | #include "lattice/FCCLattice.hpp" | |
# | Line 72 | Line 76 | namespace oopse { | |
76 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); | |
77 | //in theory, EAM can also be merged | |
78 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); | |
79 | + | //heck, that worked... let's try merging SHAPES |
80 | + | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); |
81 | + | |
82 | } | |
83 | ||
84 | void registerIntegrators() { | |
85 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); | |
86 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); | |
87 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTi")); |
88 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTf")); |
89 | < | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTxyz")); |
87 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTi>("NPTI")); |
88 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTf>("NPTF")); |
89 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); |
90 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); |
91 | > | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); |
92 | > | |
93 | } | |
94 | ||
95 | void registerMinimizers() { |
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