Gromacs  2023.2
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gmx::NoseHooverChainsData Member List

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::NoseHooverChainsDatastatic
clientID() overridegmx::NoseHooverChainsDatavirtual
dataID(NhcUsage nhcUsage)gmx::NoseHooverChainsDatastatic
isAtFullCouplingTimeStep() const gmx::NoseHooverChainsDatainline
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::NoseHooverChainsDatainline
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) overridegmx::NoseHooverChainsDatavirtual
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) overridegmx::NoseHooverChainsDatavirtual
~ICheckpointHelperClient()=defaultgmx::ICheckpointHelperClientvirtual