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Gromacs
2026.0-dev-20251119-5f0a571d
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This is the complete list of members for gmx::Bias, including all inherited members.
| Bias(int biasIndexInCollection, const AwhParams &awhParams, const AwhBiasParams &awhBiasParams, ArrayRef< const DimParams > dimParams, double beta, double mdTimeStep, const BiasSharing *biasSharing, const std::string &biasInitFilename, ThisRankWillDoIO thisRankWillDoIO, BiasParams::DisableUpdateSkips disableUpdateSkips=BiasParams::DisableUpdateSkips::no) | gmx::Bias | |
| biasIndex() const | gmx::Bias | inline |
| calcConvolvedBias(const awh_dvec &coordValue) const | gmx::Bias | inline |
| calcForceAndUpdateBias(const awh_dvec coordValue, ArrayRef< const double > neighborLambdaEnergies, ArrayRef< const double > neighborLambdaDhdl, double *awhPotential, double *potentialJump, double t, int64_t step, int64_t seed, FILE *fplog) | gmx::Bias | |
| dimParams() const | gmx::Bias | inline |
| doSkippedUpdatesForAllPoints() | gmx::Bias | |
| forceCorrelationGrid() const | gmx::Bias | inline |
| getGridCoordValue(size_t gridPointIndex) const | gmx::Bias | inline |
| hasFepLambdaDimension() const | gmx::Bias | inline |
| initHistoryFromState(AwhBiasHistory *biasHistory) const | gmx::Bias | |
| isSampleCoordStep(int64_t step) const | gmx::Bias | |
| ndim() const | gmx::Bias | inline |
| numEnergySubblocksToWrite() const | gmx::Bias | |
| params() const | gmx::Bias | inline |
| printInitializationToLog(FILE *fplog) const | gmx::Bias | |
| restoreStateFromHistory(const AwhBiasHistory *biasHistory, const MpiComm &mpiComm) | gmx::Bias | |
| state() const | gmx::Bias | inline |
| ThisRankWillDoIO enum name | gmx::Bias | |
| updateBiasStateSharedCorrelationTensorTimeIntegral() | gmx::Bias | |
| updateHistory(AwhBiasHistory *biasHistory) const | gmx::Bias | |
| writeToEnergySubblocks(t_enxsubblock *subblock) const | gmx::Bias |
1.8.5