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Gromacs
2025.3
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This is the complete list of members for gmx::VRescaleTemperatureCoupling, including all inherited members.
| apply(Step step, int temperatureGroup, real currentKineticEnergy, real gmx_unused currentTemperature, const TemperatureCouplingData &temperatureCouplingData) override | gmx::VRescaleTemperatureCoupling | inline |
| gmx::ITemperatureCouplingImpl::apply(Step step, int temperatureGroup, real currentKineticEnergy, real currentTemperature, const TemperatureCouplingData &temperatureCouplingData)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
| connectWithPropagator(const PropagatorConnection &connectionData, int numTemperatureGroups) override | gmx::VRescaleTemperatureCoupling | inlinevirtual |
| readCheckpoint(std::optional< ReadCheckpointData > gmx_unused checkpointData, const t_commrec gmx_unused *cr) override | gmx::VRescaleTemperatureCoupling | inline |
| gmx::ITemperatureCouplingImpl::readCheckpoint(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
| updateReferenceTemperatureAndIntegral(int temperatureGroup, real gmx_unused newTemperature, ReferenceTemperatureChangeAlgorithm gmx_unused algorithm, const TemperatureCouplingData &temperatureCouplingData) override | gmx::VRescaleTemperatureCoupling | inline |
| gmx::ITemperatureCouplingImpl::updateReferenceTemperatureAndIntegral(int temperatureGroup, real newTemperature, ReferenceTemperatureChangeAlgorithm algorithm, const TemperatureCouplingData &temperatureCouplingData)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
| VRescaleTemperatureCoupling(int64_t seed) | gmx::VRescaleTemperatureCoupling | inline |
| writeCheckpoint(std::optional< WriteCheckpointData > gmx_unused checkpointData, const t_commrec gmx_unused *cr) override | gmx::VRescaleTemperatureCoupling | inline |
| gmx::ITemperatureCouplingImpl::writeCheckpoint(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr)=0 | gmx::ITemperatureCouplingImpl | pure virtual |
| ~ITemperatureCouplingImpl()=default | gmx::ITemperatureCouplingImpl | virtual |
1.8.5