Gromacs
2025.1
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This is the complete list of members for gmx::MttkData, including all inherited members.
boxVelocities() | gmx::MttkData | |
build(LegacySimulatorData *legacySimulatorData, ModularSimulatorAlgorithmBuilderHelper *builderHelper, StatePropagatorData *statePropagatorData, EnergyData *energyData, const MttkPropagatorConnectionDetails &mttkPropagatorConnectionDetails) | gmx::MttkData | static |
calculateIntegralIfNeeded() | gmx::MttkData | |
clientID() override | gmx::MttkData | virtual |
dataID() | gmx::MttkData | static |
etaVelocity() const | gmx::MttkData | |
invEtaMass() const | gmx::MttkData | |
kineticEnergy() const | gmx::MttkData | |
MttkData(real ensembleTemperature, real referencePressure, real couplingTimeStep, real couplingTime, real initialVolume, real numDegreesOfFreedom, real simulationTimeStep, const tensor compressibility, const StatePropagatorData *statePropagatorData, MttkPropagatorConnection *mttkPropagatorConnection) | gmx::MttkData | |
MttkData(const MttkData &other) | gmx::MttkData | |
propagatorCallback(Step step) const | gmx::MttkData | |
referencePressure() const | gmx::MttkData | |
restoreCheckpointState(std::optional< ReadCheckpointData > checkpointData, const t_commrec *cr) override | gmx::MttkData | virtual |
saveCheckpointState(std::optional< WriteCheckpointData > checkpointData, const t_commrec *cr) override | gmx::MttkData | virtual |
scale(real scalingFactor, bool scalingAtFullCouplingTimeStep) | gmx::MttkData | |
setEtaVelocity(real etaVelocity, real etaVelocityTimeIncrement) | gmx::MttkData | |
~ICheckpointHelperClient()=default | gmx::ICheckpointHelperClient | virtual |