Gromacs
2025-dev-20241007-5b8bb96
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This is the complete list of members for gmx::StatePropagatorData::Element, including all inherited members.
clientID() override | gmx::StatePropagatorData::Element | virtual |
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() override | gmx::StatePropagatorData::Element | virtual |
elementTeardown() override | gmx::StatePropagatorData::Element | inlinevirtual |
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, ObservablesReducer *observablesReducer) | gmx::StatePropagatorData::Element | static |
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) override | gmx::StatePropagatorData::Element | virtual |
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) override | gmx::StatePropagatorData::Element | virtual |
scheduleTask(Step step, Time time, const RegisterRunFunction ®isterRunFunction) override | gmx::StatePropagatorData::Element | virtual |
setFreeEnergyPerturbationData(FreeEnergyPerturbationData *freeEnergyPerturbationData) | gmx::StatePropagatorData::Element | |
gmx::ITrajectoryWriterClient::trajectoryWriterSetup(gmx_mdoutf *outf)=0 | gmx::ITrajectoryWriterClient | protectedpure virtual |
~ICheckpointHelperClient()=default | gmx::ICheckpointHelperClient | virtual |
~ILastStepSignallerClient()=default | gmx::ILastStepSignallerClient | virtual |
~ISimulatorElement()=default | gmx::ISimulatorElement | virtual |
~ITrajectorySignallerClient()=default | gmx::ITrajectorySignallerClient | virtual |
~ITrajectoryWriterClient()=default | gmx::ITrajectoryWriterClient | virtual |