Gromacs
2024.4
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This is the complete list of members for gmx::ComputeGlobalsElement< algorithm >, including all inherited members.
ComputeGlobalsElement(StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, SimulationSignals *signals, int nstglobalcomm, FILE *fplog, const MDLogger &mdlog, t_commrec *cr, const t_inputrec *inputrec, const MDAtoms *mdAtoms, t_nrnb *nrnb, gmx_wallcycle *wcycle, t_forcerec *fr, const gmx_mtop_t &global_top, Constraints *constr, ObservablesReducer *observablesReducer) | gmx::ComputeGlobalsElement< algorithm > | |
elementSetup() override | gmx::ComputeGlobalsElement< algorithm > | virtual |
elementTeardown() override | gmx::ComputeGlobalsElement< algorithm > | inlinevirtual |
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer) | gmx::ComputeGlobalsElement< algorithm > | static |
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer) (defined in gmx::ComputeGlobalsElement< algorithm >) | gmx::ComputeGlobalsElement< algorithm > | |
getElementPointerImpl(LegacySimulatorData *simulator, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer) (defined in gmx::ComputeGlobalsElement< algorithm >) | gmx::ComputeGlobalsElement< algorithm > | |
scheduleTask(Step step, Time time, const RegisterRunFunction ®isterRunFunction) override | gmx::ComputeGlobalsElement< algorithm > | virtual |
~ComputeGlobalsElement() override | gmx::ComputeGlobalsElement< algorithm > | |
~IEnergySignallerClient()=default | gmx::IEnergySignallerClient | virtual |
~ISimulatorElement()=default | gmx::ISimulatorElement | virtual |
~ITrajectorySignallerClient()=default | gmx::ITrajectorySignallerClient | virtual |