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gmx::StatePropagatorData::Element Member List

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

clientID() overridegmx::StatePropagatorData::Elementvirtual
Element(StatePropagatorData *statePropagatorData, FILE *fplog, const t_commrec *cr, int nstxout, int nstvout, int nstfout, int nstxout_compressed, bool canMoleculesBeDistributedOverPBC, bool writeFinalConfiguration, std::string finalConfigurationFilename, const t_inputrec *inputrec, const gmx_mtop_t &globalTop)gmx::StatePropagatorData::Element
elementSetup() overridegmx::StatePropagatorData::Elementvirtual
elementTeardown() overridegmx::StatePropagatorData::Elementinlinevirtual
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer)gmx::StatePropagatorData::Elementstatic
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) overridegmx::StatePropagatorData::Elementvirtual
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) overridegmx::StatePropagatorData::Elementvirtual
scheduleTask(Step step, Time time, const RegisterRunFunction &registerRunFunction) overridegmx::StatePropagatorData::Elementvirtual
setFreeEnergyPerturbationData(FreeEnergyPerturbationData *freeEnergyPerturbationData)gmx::StatePropagatorData::Element
gmx::ITrajectoryWriterClient::trajectoryWriterSetup(gmx_mdoutf *outf)=0gmx::ITrajectoryWriterClientprotectedpure virtual
~ICheckpointHelperClient()=defaultgmx::ICheckpointHelperClientvirtual
~ILastStepSignallerClient()=defaultgmx::ILastStepSignallerClientvirtual
~ISimulatorElement()=defaultgmx::ISimulatorElementvirtual
~ITrajectorySignallerClient()=defaultgmx::ITrajectorySignallerClientvirtual
~ITrajectoryWriterClient()=defaultgmx::ITrajectoryWriterClientvirtual