Gromacs  2024.4
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gmx::FreeEnergyPerturbationData Member List

This is the complete list of members for gmx::FreeEnergyPerturbationData, including all inherited members.

checkpointID()gmx::FreeEnergyPerturbationDatastatic
constLambdaView() const gmx::FreeEnergyPerturbationData
currentFEPState() const gmx::FreeEnergyPerturbationData
element()gmx::FreeEnergyPerturbationData
enableExternalFepStateSetting() const gmx::FreeEnergyPerturbationData
FreeEnergyPerturbationData(FILE *fplog, const t_inputrec &inputrec, MDAtoms *mdAtoms, gmx_ekindata_t *ekindata)gmx::FreeEnergyPerturbationData
lambdaView()gmx::FreeEnergyPerturbationData
readCheckpointToTrxFrame(t_trxframe *trxFrame, std::optional< ReadCheckpointData > readCheckpointData)gmx::FreeEnergyPerturbationDatastatic