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#include "minimizers/PRCG.hpp" |
55 |
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#include "minimizers/SDMinimizer.hpp" |
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#include "UseTheForce/DUFF.hpp" |
57 |
< |
#include "UseTheForce/EAM.hpp" |
57 |
> |
#include "UseTheForce/EAM_FF.hpp" |
58 |
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#include "UseTheForce/ForceFieldFactory.hpp" |
59 |
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#include "UseTheForce/ForceFieldCreator.hpp" |
60 |
+ |
#include "lattice/LatticeFactory.hpp" |
61 |
+ |
#include "lattice/LatticeCreator.hpp" |
62 |
+ |
#include "lattice/Lattice.hpp" |
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|
|
64 |
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namespace oopse { |
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|
|
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER")); |
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ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
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//in theory, EAM can also be merged |
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< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM>("EAM")); |
74 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
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} |
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|
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void registerIntegrators() { |
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MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG")); |
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} |
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|
|
90 |
+ |
void registerLattice(){ |
91 |
+ |
LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<CubicLattice>("CUBIC")); |
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+ |
LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC")); |
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+ |
} |
94 |
+ |
|
95 |
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void registerAll() { |
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registerForceFields(); |
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registerIntegrators(); |