Index

B

BoundsError

C

check_w_normalized() (in module pymbar.utils) computeCovarianceOfSums() (pymbar.MBAR method) computeEffectiveSampleNumber() (pymbar.MBAR method) computeEntropyAndEnthalpy() (pymbar.MBAR method) computeExpectations() (pymbar.MBAR method)

computeExpectationsInner() (pymbar.MBAR method) computeMultipleExpectations() (pymbar.MBAR method) computeOverlap() (pymbar.MBAR method) computePerturbedFreeEnergies() (pymbar.MBAR method) computePMF() (pymbar.MBAR method) ConvergenceError

D

DataError

detectEquilibration() (in module pymbar.timeseries) detectEquilibration_binary_search() (in module pymbar.timeseries)

E

ensure_type() (in module pymbar.utils)

G

getFreeEnergyDifferences() (pymbar.MBAR method)

getWeights() (pymbar.MBAR method)

I

integratedAutocorrelationTime() (in module pymbar.timeseries)

integratedAutocorrelationTimeMultiple() (in module pymbar.timeseries)

K

kln_to_kn() (in module pymbar.utils)

kn_to_n() (in module pymbar.utils)

M

MBAR (class in pymbar) module pymbar.testsystems pymbar.testsystems.exponential_distributions pymbar.testsystems.gaussian_work pymbar.testsystems.harmonic_oscillators pymbar.testsystems.timeseries pymbar.timeseries pymbar.utils

N

normalizedFluctuationCorrelationFunction() (in module pymbar.timeseries)

normalizedFluctuationCorrelationFunctionMultiple() (in module pymbar.timeseries)

P

ParameterError pymbar.testsystems module pymbar.testsystems.exponential_distributions module pymbar.testsystems.gaussian_work module

pymbar.testsystems.harmonic_oscillators module pymbar.testsystems.timeseries module pymbar.timeseries module pymbar.utils module

S

statisticalInefficiency() (in module pymbar.timeseries) statisticalInefficiency_fft() (in module pymbar.timeseries)

statisticalInefficiencyMultiple() (in module pymbar.timeseries) subsampleCorrelatedData() (in module pymbar.timeseries)

T

TypeCastPerformanceWarning

W

W_nk (pymbar.MBAR property)