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gmx
PointState
gmx::PointState Member List
This is the complete list of members for
gmx::PointState
, including all inherited members.
addPartialWeightAndCount
()
gmx::PointState
inline
bias
() const
gmx::PointState
inline
freeEnergy
() const
gmx::PointState
inline
increaseWeightSumIteration
(double weight)
gmx::PointState
inline
inTargetRegion
() const
gmx::PointState
inline
logPmfSum
() const
gmx::PointState
inline
normalizeFreeEnergyAndPmfSum
(double minimumFreeEnergy)
gmx::PointState
inline
numVisitsIteration
() const
gmx::PointState
inline
numVisitsTot
() const
gmx::PointState
inline
performPreviouslySkippedUpdates
(const BiasParams ¶ms, int64_t numUpdates, double weighthistScaling, double logPmfSumScaling)
gmx::PointState
inline
PointState
()
gmx::PointState
inline
samplePmf
(double convolvedBias)
gmx::PointState
scaleTarget
(double scaleFactor)
gmx::PointState
inline
setFreeEnergy
(double freeEnergy)
gmx::PointState
inline
setFromHistory
(const AwhPointStateHistory &psh)
gmx::PointState
inline
setInitialReferenceWeightHistogram
(double histogramSize)
gmx::PointState
inline
setLogPmfSum
(double logPmfSum)
gmx::PointState
inline
setPartialWeightAndCount
(double weightSum, double numVisits)
gmx::PointState
inline
setTargetConstantWeight
(double targetConstantWeight)
gmx::PointState
inline
setTargetToZero
()
gmx::PointState
inline
storeState
(AwhPointStateHistory *psh) const
gmx::PointState
inline
target
() const
gmx::PointState
inline
updateBias
()
gmx::PointState
inline
updatePmfUnvisited
(double bias)
gmx::PointState
updateTargetWeight
(const BiasParams ¶ms, double freeEnergyCutoff)
gmx::PointState
inline
updateWithNewSampling
(const BiasParams ¶ms, int64_t numUpdates, double weighthistScaling, double logPmfSumScaling)
gmx::PointState
inline
weightSumIteration
() const
gmx::PointState
inline
weightSumRef
() const
gmx::PointState
inline
weightSumTot
() const
gmx::PointState
inline
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