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#include "brains/SimInfo.hpp" |
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#include "brains/ForceManager.hpp" |
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+ |
#include "brains/Thermo.hpp" |
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#include "flucq/FluctuatingChargeConstraints.hpp" |
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namespace OpenMD { |
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*/ |
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class FluctuatingChargePropagator { |
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public: |
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< |
FluctuatingChargePropagator(SimInfo* info, ForceManager* forceMan); |
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> |
FluctuatingChargePropagator(SimInfo* info); |
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virtual ~FluctuatingChargePropagator(){ } |
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virtual void initialize(); |
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virtual void updateSizes() = 0; |
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virtual void moveA() = 0; |
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virtual void applyConstraints(); |
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virtual void moveB() = 0; |
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+ |
virtual void setForceManager(ForceManager* forceMan); |
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|
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protected: |
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FluctuatingChargeParameters* fqParams_; |