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