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Gromacs
2026.0
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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 MpiComm &mpiComm, 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 |
1.8.5