Gromacs
2026.0-dev-20241204-d69d709
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This is the complete list of members for gmx::FreeEnergyPerturbationData::Element, including all inherited members.
clientID() override | gmx::FreeEnergyPerturbationData::Element | virtual |
Element(FreeEnergyPerturbationData *freeEnergyPerturbationElement, double deltaLambda) | gmx::FreeEnergyPerturbationData::Element | explicit |
elementSetup() override | gmx::FreeEnergyPerturbationData::Element | virtual |
elementTeardown() override | gmx::FreeEnergyPerturbationData::Element | inlinevirtual |
enableExternalFepStateSetting() | gmx::FreeEnergyPerturbationData::Element | |
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper) | gmx::FreeEnergyPerturbationData::Element | static |
registerDomDecCallback() override | gmx::FreeEnergyPerturbationData::Element | virtual |
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) override | gmx::FreeEnergyPerturbationData::Element | virtual |
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) override | gmx::FreeEnergyPerturbationData::Element | virtual |
scheduleTask(Step step, Time time, const RegisterRunFunction ®isterRunFunction) override | gmx::FreeEnergyPerturbationData::Element | virtual |
~ICheckpointHelperClient()=default | gmx::ICheckpointHelperClient | virtual |
~IDomDecHelperClient()=default | gmx::IDomDecHelperClient | virtual |
~ISimulatorElement()=default | gmx::ISimulatorElement | virtual |