Uses of Class
ffx.numerics.estimator.SequentialEstimator
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Uses of SequentialEstimator in ffx.numerics.estimator
Modifier and TypeClassDescriptionclass
The Bennett Acceptance Ratio class implements the Bennett Acceptance Ratio (BAR) statistical estimator, based on the Tinker implementation.class
The MultistateBennettAcceptanceRatio class defines a statistical estimator based on a generalization to the Bennett Acceptance Ratio (BAR) method for multiple lambda windows.class
The Zwanzig class implements exponential averaging/free energy perturbation using the Zwanzig relationship, in either the forwards or backwards direction (not both).