Gromacs
2023.2
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This is the complete list of members for gmx::NoseHooverChainsData, including all inherited members.
applyNhc(int temperatureGroup, double propagationTimeStep, real currentKineticEnergy) | gmx::NoseHooverChainsData | |
build(NhcUsage nhcUsage, LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, EnergyData *energyData) | gmx::NoseHooverChainsData | static |
clientID() override | gmx::NoseHooverChainsData | virtual |
dataID(NhcUsage nhcUsage) | gmx::NoseHooverChainsData | static |
isAtFullCouplingTimeStep() const | gmx::NoseHooverChainsData | inline |
NoseHooverChainsData(int numTemperatureGroups, real couplingTimeStep, int chainLength, ArrayRef< const real > referenceTemperature, ArrayRef< const real > couplingTime, ArrayRef< const real > numDegreesOfFreedom, NhcUsage nhcUsage) | gmx::NoseHooverChainsData | |
NoseHooverChainsData(const NoseHooverChainsData &other) | gmx::NoseHooverChainsData | |
numTemperatureGroups() const | gmx::NoseHooverChainsData | inline |
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) override | gmx::NoseHooverChainsData | virtual |
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) override | gmx::NoseHooverChainsData | virtual |
~ICheckpointHelperClient()=default | gmx::ICheckpointHelperClient | virtual |