# | Line 51 | Line 51 | |
---|---|---|
51 | #include "integrators/NPTxyz.hpp" | |
52 | #include "integrators/NPAT.hpp" | |
53 | #include "integrators/NPrT.hpp" | |
54 | + | #include "integrators/LangevinDynamics.hpp" |
55 | ||
56 | #include "minimizers/MinimizerFactory.hpp" | |
57 | #include "minimizers/MinimizerCreator.hpp" | |
# | Line 62 | Line 63 | |
63 | #include "UseTheForce/ForceFieldCreator.hpp" | |
64 | #include "UseTheForce/SHAPES_FF.hpp" | |
65 | #include "UseTheForce/SC_FF.hpp" | |
66 | + | #include "UseTheForce/CLAYFF.hpp" |
67 | #include "lattice/LatticeFactory.hpp" | |
68 | #include "lattice/LatticeCreator.hpp" | |
69 | #include "lattice/FCCLattice.hpp" | |
# | Line 92 | Line 94 | namespace oopse { | |
94 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); | |
95 | //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). | |
96 | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC")); | |
97 | + | ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY")); |
98 | } | |
99 | ||
100 | void registerIntegrators() { | |
# | Line 102 | Line 105 | namespace oopse { | |
105 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPTxyz>("NPTXYZ")); | |
106 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPAT>("NPAT")); | |
107 | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPRT")); | |
108 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NPrT>("NPGT")); |
109 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LANGEVINDYNAMICS")); |
110 | + | IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<LangevinDynamics>("LD")); |
111 | + | |
112 | ||
113 | } | |
114 |
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