Gromacs  2026.3
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
gmx::PointState Member List

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

addLocalWeightSum()gmx::PointStateinline
addPartialWeightAndCount()gmx::PointStateinline
bias() const gmx::PointStateinline
freeEnergy() const gmx::PointStateinline
increaseWeightSumIteration(double weight)gmx::PointStateinline
inTargetRegion() const gmx::PointStateinline
localWeightSum() const gmx::PointStateinline
logPmfSum() const gmx::PointStateinline
normalizeFreeEnergyAndPmfSum(double minimumFreeEnergy)gmx::PointStateinline
numVisitsIteration() const gmx::PointStateinline
numVisitsTot() const gmx::PointStateinline
performPreviouslySkippedUpdates(const BiasParams &params, int64_t numUpdates, double weighthistScaling, double logPmfSumScaling)gmx::PointStateinline
PointState()gmx::PointStateinline
samplePmf(double convolvedBias)gmx::PointState
scaleTarget(double scaleFactor)gmx::PointStateinline
setFreeEnergy(double freeEnergy)gmx::PointStateinline
setFromHistory(const AwhPointStateHistory &psh)gmx::PointStateinline
setInitialReferenceWeightHistogram(double histogramSize)gmx::PointStateinline
setLogPmfSum(double logPmfSum)gmx::PointStateinline
setPartialWeightAndCount(double weightSum, double numVisits)gmx::PointStateinline
setTargetConstantWeight(double targetConstantWeight)gmx::PointStateinline
setTargetToZero()gmx::PointStateinline
storeState(AwhPointStateHistory *psh) const gmx::PointStateinline
target() const gmx::PointStateinline
updateBias()gmx::PointStateinline
updatePmfUnvisited(double bias)gmx::PointState
updateTargetWeight(const BiasParams &params, double freeEnergyCutoff)gmx::PointStateinline
updateWithNewSampling(const BiasParams &params, int64_t numUpdates, double weighthistScaling, double logPmfSumScaling)gmx::PointStateinline
weightSumIteration() const gmx::PointStateinline
weightSumRef() const gmx::PointStateinline
weightSumTot() const gmx::PointStateinline