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gmx::Awh Member List

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

applyBiasForcesAndUpdateBias(PbcType pbcType, const real *masses, ArrayRef< const double > neighborLambdaEnergies, ArrayRef< const double > neighborLambdaDhdl, const matrix box, gmx::ForceWithVirial *forceWithVirial, double t, int64_t step, gmx_wallcycle *wallcycle, FILE *fplog)gmx::Awh
Awh(FILE *fplog, const t_inputrec &inputRecord, const t_commrec *commRecord, const gmx_multisim_t *multiSimRecord, const AwhParams &awhParams, const std::string &biasInitFilename, pull_t *pull_work, int numLambdaStates, int lambdaState)gmx::Awh
fepLambdaState() const gmx::Awhinline
hasFepLambdaDimension() const gmx::Awh
initHistoryFromState() const gmx::Awh
needForeignEnergyDifferences(int64_t step) const gmx::Awh
registerAwhWithPull(const AwhParams &awhParams, pull_t *pull_work)gmx::Awhstatic
restoreStateFromHistory(const AwhHistory *awhHistory)gmx::Awh
updateHistory(AwhHistory *awhHistory) const gmx::Awh
writeToEnergyFrame(int64_t step, t_enxframe *fr) const gmx::Awh
~Awh() (defined in gmx::Awh)gmx::Awh