Uses of Class
ffx.algorithms.thermodynamics.OrthogonalSpaceTempering.Histogram
Packages that use OrthogonalSpaceTempering.Histogram
Package
Description
The Thermodynamics package computes free energy differences using Orthogonal Space Tempering
(OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
-
Uses of OrthogonalSpaceTempering.Histogram in ffx.algorithms.thermodynamics
Methods in ffx.algorithms.thermodynamics that return OrthogonalSpaceTempering.HistogramModifier and TypeMethodDescriptionOrthogonalSpaceTempering.getAllHistograms()
OrthogonalSpaceTempering.getHistogram()
Return the current 2D Histogram of counts.Methods in ffx.algorithms.thermodynamics with parameters of type OrthogonalSpaceTempering.HistogramModifier and TypeMethodDescriptionvoid
SendSynchronous.setHistograms
(OrthogonalSpaceTempering.Histogram[] histograms, int[] rankToHistogramMap) Update the synchronous communication histograms.Constructors in ffx.algorithms.thermodynamics with parameters of type OrthogonalSpaceTempering.HistogramModifierConstructorDescriptionSendSynchronous
(OrthogonalSpaceTempering.Histogram[] histograms, int[] rankToHistogramMap) Synchronous Communication Constructor.