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#ifndef RESTRAINTS_THERMOINTEGRATIONFORCEMANAGER_HPP |
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#define RESTRAINTS_THERMOINTEGRATIONFORCEMANAGER_HPP |
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#include <list> |
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#include <string> |
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#include <vector> |
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#include "brains/ForceManager.hpp" |
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#include "restraints/Restraints.hpp" |
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#include "restraints/RestraintForceManager.hpp" |
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namespace oopse { |
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class ThermoIntegrationForceManager : public ForceManager { |
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class ThermoIntegrationForceManager : public RestraintForceManager { |
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public: |
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ThermoIntegrationForceManager(SimInfo* info); |
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private: |
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Globals* simParam; |
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Restraints* restraint_; |
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Snapshot* currSnapshot_; |
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double tIntLambda_; |
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double tIntK_; |
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double factor_; |
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double lrPot_; |
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double vHarm_; |
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RealType tIntLambda_; |
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RealType tIntK_; |
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RealType factor_; |
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RealType lrPot_; |
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RealType vHarm_; |
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}; |
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} |