Gromacs
2025.0
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This is the complete list of members for gmx::ExpandedEnsembleElement, including all inherited members.
clientID() override | gmx::ExpandedEnsembleElement | virtual |
elementSetup() override | gmx::ExpandedEnsembleElement | virtual |
elementTeardown() override | gmx::ExpandedEnsembleElement | inlinevirtual |
ExpandedEnsembleElement(bool isMainRank, Step initialStep, int frequency, const EnergyData *energyData, const FreeEnergyPerturbationData *freeEnergyPerturbationData, FILE *fplog, const t_inputrec *inputrec) | gmx::ExpandedEnsembleElement | explicit |
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer) | gmx::ExpandedEnsembleElement | static |
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) override | gmx::ExpandedEnsembleElement | virtual |
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) override | gmx::ExpandedEnsembleElement | virtual |
scheduleTask(Step step, Time time, const RegisterRunFunction ®isterRunFunction) override | gmx::ExpandedEnsembleElement | virtual |
~ExpandedEnsembleElement() | gmx::ExpandedEnsembleElement | |
~ICheckpointHelperClient()=default | gmx::ICheckpointHelperClient | virtual |
~ILoggingSignallerClient()=default | gmx::ILoggingSignallerClient | virtual |
~ISimulatorElement()=default | gmx::ISimulatorElement | virtual |