Gromacs
2025.0
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This is the complete list of members for gmx::ITemperatureCouplingImpl, including all inherited members.
apply(Step step, int temperatureGroup, real currentKineticEnergy, real currentTemperature, const TemperatureCouplingData &temperatureCouplingData)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
connectWithPropagator(const PropagatorConnection &connectionData, int numTemperatureGroups)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
readCheckpoint(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
updateReferenceTemperatureAndIntegral(int temperatureGroup, real newTemperature, ReferenceTemperatureChangeAlgorithm algorithm, const TemperatureCouplingData &temperatureCouplingData)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
writeCheckpoint(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
~ITemperatureCouplingImpl()=default | gmx::ITemperatureCouplingImpl | virtual |