Uses of Class
ffx.numerics.estimator.SequentialEstimator
Packages that use SequentialEstimator
-
Uses of SequentialEstimator in ffx.numerics.estimator
Subclasses of SequentialEstimator in ffx.numerics.estimatorModifier 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).