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Gromacs
2026.0-dev-20251119-5f0a571d
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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 MpiComm &mpiComm, gmx_domdec_t *dd) override | gmx::StatePropagatorData::Element | virtual |
| saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const MpiComm &mpiComm, gmx_domdec_t *dd) 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 |
1.8.5