Gromacs  2024.2
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gmx::ExpandedEnsembleElement Member List

This is the complete list of members for gmx::ExpandedEnsembleElement, including all inherited members.

clientID() overridegmx::ExpandedEnsembleElementvirtual
elementSetup() overridegmx::ExpandedEnsembleElementvirtual
elementTeardown() overridegmx::ExpandedEnsembleElementinlinevirtual
ExpandedEnsembleElement(bool isMainRank, Step initialStep, int frequency, const EnergyData *energyData, const FreeEnergyPerturbationData *freeEnergyPerturbationData, FILE *fplog, const t_inputrec *inputrec)gmx::ExpandedEnsembleElementexplicit
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer)gmx::ExpandedEnsembleElementstatic
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) overridegmx::ExpandedEnsembleElementvirtual
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) overridegmx::ExpandedEnsembleElementvirtual
scheduleTask(Step step, Time time, const RegisterRunFunction &registerRunFunction) overridegmx::ExpandedEnsembleElementvirtual
~ICheckpointHelperClient()=defaultgmx::ICheckpointHelperClientvirtual
~ILoggingSignallerClient()=defaultgmx::ILoggingSignallerClientvirtual
~ISimulatorElement()=defaultgmx::ISimulatorElementvirtual