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#include "integrators/NVE.hpp" |
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namespace oopse { |
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Integrator* createNVE(SimInfo* info) { |
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return new NVE(info); |
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} |
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//register the creator to IntegratorFactory |
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REGISTER_CREATOR(IntegratorFactory, "NVE", NVE); |
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IntegratorFactory::getInstance()->registerIntegrator("NVE", createNVE); |
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NVE::NVE(SimInfo* info) : VelocityVerletIntegrator(info){ |
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} |
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} //end for(mol = info_->beginMolecule(i)) |
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< |
constraintAlgorithm->doConstrainA(); |
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//constraintAlgorithm->doConstrainA(); |
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} |
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} //end for(mol = info_->beginMolecule(i)) |
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< |
constraintAlgorithm->doConstrainB(); |
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> |
//constraintAlgorithm->doConstrainB(); |
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} |
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