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#define INTEGRATORS_INTEGRATOR_HPP |
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#include "brains/ForceManager.hpp" |
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#include "restraints/ThermoIntegrationForceManager.hpp" |
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#include "io/DumpWriter.hpp" |
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#include "io/StatWriter.hpp" |
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#include "io/RestWriter.hpp" |
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#include "integrators/Velocitizer.hpp" |
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namespace oopse { |
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} |
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SimInfo* info_; |
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Globals* simParams; |
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ForceManager* forceMan_; |
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bool needPotential; |
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bool needStress; |
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bool needVelocityScaling; |
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double targetScalingTemp; |
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DumpWriter*dumpWriter; |
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DumpWriter* eorWriter; |
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DumpWriter* dumpWriter; |
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StatWriter* statWriter; |
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RestWriter* restWriter; |
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Thermo thermo; |
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double runTime; |
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virtual double calcConservedQuantity() = 0; |
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virtual DumpWriter* createDumpWriter() = 0; |
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virtual DumpWriter* createEorWriter() = 0; |
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virtual StatWriter* createStatWriter() = 0; |
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}; |