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* Basic thermostating via Hoover, Phys.Rev.A, 1985, Vol. 31 (5) 1695-1697 |
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* @todo document |
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*/ |
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< |
class NVT : public VerlocityVerletIntegrator{ |
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> |
class NVT : public VelocityVerletIntegrator{ |
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public: |
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NVT(SimInfo* info); |
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79 |
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chiTolerance_ = tol; |
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} |
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– |
virtual void update() ; |
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protected: |
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virtual void moveA(); |
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+ |
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virtual void moveB(); |
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+ |
virtual void doUpdate() ; |
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+ |
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private: |
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virtual double calcConservedQuantity(); |
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99 |
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std::vector<Vector3d> oldJi_; |
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}; |
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|
100 |
– |
Integrator* createNVT(SimInfo* info); |
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} //end namespace oopse |
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