Gromacs
2022-beta1
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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 |