Gromacs
2021-beta3-UNCHECKED
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This is the complete list of members for gmx::VelocityScalingTemperatureCoupling, including all inherited members.
clientID() override | gmx::VelocityScalingTemperatureCoupling | virtual |
connectWithPropagator(const PropagatorThermostatConnection &connectionData) | gmx::VelocityScalingTemperatureCoupling | |
conservedEnergyContribution() const | gmx::VelocityScalingTemperatureCoupling | |
elementSetup() override | gmx::VelocityScalingTemperatureCoupling | virtual |
elementTeardown() override | gmx::VelocityScalingTemperatureCoupling | inlinevirtual |
getElementPointerImpl(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, FreeEnergyPerturbationData *freeEnergyPerturbationData, GlobalCommunicationHelper *globalCommunicationHelper, int offset, UseFullStepKE useFullStepKE, ReportPreviousStepConservedEnergy reportPreviousStepConservedEnergy) | gmx::VelocityScalingTemperatureCoupling | static |
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) override | gmx::VelocityScalingTemperatureCoupling | virtual |
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) override | gmx::VelocityScalingTemperatureCoupling | virtual |
scheduleTask(Step step, Time time, const RegisterRunFunction ®isterRunFunction) override | gmx::VelocityScalingTemperatureCoupling | virtual |
VelocityScalingTemperatureCoupling(int nstcouple, int offset, UseFullStepKE useFullStepKE, ReportPreviousStepConservedEnergy reportPreviousConservedEnergy, int64_t seed, int numTemperatureGroups, double couplingTimeStep, const real *referenceTemperature, const real *couplingTime, const real *numDegreesOfFreedom, EnergyData *energyData, TemperatureCouplingType couplingType) | gmx::VelocityScalingTemperatureCoupling | |
~ICheckpointHelperClient()=default | gmx::ICheckpointHelperClient | virtual |
~ISimulatorElement()=default | gmx::ISimulatorElement | virtual |