Gromacs
2025-dev-20241007-5b8bb96
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This is the complete list of members for gmx::Awh, including all inherited members.
applyBiasForcesAndUpdateBias(PbcType pbcType, ArrayRef< const double > neighborLambdaEnergies, ArrayRef< const double > neighborLambdaDhdl, const matrix box, 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 | |
externalPotentialString() | gmx::Awh | static |
fepLambdaState() const | gmx::Awh | inline |
hasFepLambdaDimension() const | gmx::Awh | |
initHistoryFromState() const | gmx::Awh | |
needForeignEnergyDifferences(int64_t step) const | gmx::Awh | |
registerAwhWithPull(const AwhParams &awhParams, pull_t *pull_work) | gmx::Awh | static |
restoreStateFromHistory(const AwhHistory *awhHistory) | gmx::Awh | |
updateHistory(AwhHistory *awhHistory) const | gmx::Awh | |
writeToEnergyFrame(int64_t step, t_enxframe *fr) | gmx::Awh | |
~Awh() (defined in gmx::Awh) | gmx::Awh |