66 |
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#include "UseTheForce/SC_FF.hpp" |
67 |
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#include "UseTheForce/MnM_FF.hpp" |
68 |
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#include "UseTheForce/CLAYFF.hpp" |
69 |
+ |
#include "UseTheForce/Amber_FF.hpp" |
70 |
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#include "lattice/LatticeFactory.hpp" |
71 |
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#include "lattice/LatticeCreator.hpp" |
72 |
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#include "lattice/FCCLattice.hpp" |
86 |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SHAPES_FF>("SHAPES")); |
87 |
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//Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). |
88 |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<SC_FF>("SC")); |
89 |
< |
//Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. |
90 |
< |
//That sounds like a good idea right...... |
91 |
< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM")); |
89 |
> |
//Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. |
90 |
> |
//That sounds like a good idea right...... |
91 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<MnM_FF>("MnM")); |
92 |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<CLAYFF>("CLAY")); |
93 |
+ |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<Amber_FF>("Amber")); |
94 |
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} |
95 |
< |
|
95 |
> |
|
96 |
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void registerIntegrators() { |
97 |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVE>("NVE")); |
98 |
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IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder<NVT>("NVT")); |