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#ifndef INTEGRATORS_FLUCTUATINGCHARGENVT_HPP |
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#define INTEGRATORS_FLUCTUATINGCHARGENVT_HPP |
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< |
#include "integrators/FluctuatingChargePropagator.hpp" |
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> |
#include "flucq/FluctuatingChargePropagator.hpp" |
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#include "brains/Thermo.hpp" |
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namespace OpenMD { |
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class FluctuatingChargeNVT : public FluctuatingChargePropagator { |
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public: |
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< |
FluctuatingChargeNVT(SimInfo* info); |
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> |
FluctuatingChargeNVT(SimInfo* info, ForceManager* forceMan); |
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int getMaxIterationNumber() { |
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return maxIterNum_; |