Gromacs
2020.4
|
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::Bias | inline |
calcConvolvedBias(const awh_dvec &coordValue) const | gmx::Bias | inline |
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::Bias | inline |
doSkippedUpdatesForAllPoints() | gmx::Bias | |
forceCorrelationGrid() const | gmx::Bias | inline |
getGridCoordValue(size_t gridPointIndex) const | gmx::Bias | inline |
initHistoryFromState(AwhBiasHistory *biasHistory) 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 t_commrec *cr) | gmx::Bias | |
state() const | gmx::Bias | inline |
ThisRankWillDoIO enum name | gmx::Bias | |
updateHistory(AwhBiasHistory *biasHistory) const | gmx::Bias | |
writeToEnergySubblocks(t_enxsubblock *subblock) const | gmx::Bias |