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Gromacs
2026.2
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This is the complete list of members for gmx::NoseHooverTemperatureCoupling, including all inherited members.
| apply(Step gmx_unused step, int temperatureGroup, real currentKineticEnergy, real currentTemperature, const TemperatureCouplingData &thermostatData) override | gmx::NoseHooverTemperatureCoupling | inline |
| gmx::ITemperatureCouplingImpl::apply(Step step, int temperatureGroup, real currentKineticEnergy, real currentTemperature, const TemperatureCouplingData &temperatureCouplingData)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
| applyLeapFrog(Step gmx_unused step, int temperatureGroup, real currentKineticEnergy, real currentTemperature, const TemperatureCouplingData &thermostatData) | gmx::NoseHooverTemperatureCoupling | inline |
| connectWithPropagator(const PropagatorConnection &connectionData, int numTemperatureGroups) override | gmx::NoseHooverTemperatureCoupling | inlinevirtual |
| doCheckpointData(CheckpointData< operation > *checkpointData) | gmx::NoseHooverTemperatureCoupling | inline |
| integral(int temperatureGroup, real numDegreesOfFreedom, real referenceTemperature) | gmx::NoseHooverTemperatureCoupling | inline |
| NoseHooverTemperatureCoupling(int numTemperatureGroups, ArrayRef< const real > referenceTemperature, ArrayRef< const real > couplingTime) | gmx::NoseHooverTemperatureCoupling | inline |
| readCheckpoint(std::optional< ReadCheckpointData > checkpointData, const MpiComm &mpiComm, gmx_domdec_t *dd) override | gmx::NoseHooverTemperatureCoupling | inlinevirtual |
| updateReferenceTemperatureAndIntegral(int temperatureGroup, real gmx_unused newTemperature, ReferenceTemperatureChangeAlgorithm gmx_unused algorithm, const TemperatureCouplingData &temperatureCouplingData) override | gmx::NoseHooverTemperatureCoupling | inline |
| gmx::ITemperatureCouplingImpl::updateReferenceTemperatureAndIntegral(int temperatureGroup, real newTemperature, ReferenceTemperatureChangeAlgorithm algorithm, const TemperatureCouplingData &temperatureCouplingData)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
| writeCheckpoint(std::optional< WriteCheckpointData > checkpointData, const MpiComm &mpiComm) override | gmx::NoseHooverTemperatureCoupling | inlinevirtual |
| ~ITemperatureCouplingImpl()=default | gmx::ITemperatureCouplingImpl | virtual |
1.8.5