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gmx::Bias Member List

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

Bias(int biasIndexInCollection, const AwhParams &awhParams, const AwhBiasParams &awhBiasParams, const std::vector< DimParams > &dimParams, double beta, double mdTimeStep, int numSharingSimulations, const std::string &biasInitFilename, ThisRankWillDoIO thisRankWillDoIO, BiasParams::DisableUpdateSkips disableUpdateSkips=BiasParams::DisableUpdateSkips::no)gmx::Bias
biasIndex() const gmx::Biasinline
calcConvolvedBias(const awh_dvec &coordValue) const gmx::Biasinline
calcForceAndUpdateBias(const awh_dvec coordValue, double *awhPotential, double *potentialJump, const t_commrec *commRecord, const gmx_multisim_t *ms, double t, int64_t step, int64_t seed, FILE *fplog)gmx::Bias
dimParams() const gmx::Biasinline
doSkippedUpdatesForAllPoints()gmx::Bias
forceCorrelationGrid() const gmx::Biasinline
getGridCoordValue(size_t gridPointIndex) const gmx::Biasinline
initHistoryFromState(AwhBiasHistory *biasHistory) const gmx::Bias
ndim() const gmx::Biasinline
numEnergySubblocksToWrite() const gmx::Bias
params() const gmx::Biasinline
printInitializationToLog(FILE *fplog) const gmx::Bias
restoreStateFromHistory(const AwhBiasHistory *biasHistory, const t_commrec *cr)gmx::Bias
state() const gmx::Biasinline
ThisRankWillDoIO enum namegmx::Bias
updateHistory(AwhBiasHistory *biasHistory) const gmx::Bias
writeToEnergySubblocks(t_enxsubblock *subblock) const gmx::Bias