Uses of Class
ffx.algorithms.cli.LambdaParticleOptions
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Thermodynamics package computes free energy differences using Orthogonal Space Tempering
(OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
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Uses of LambdaParticleOptions in ffx.algorithms.cli
Modifier and TypeMethodDescriptionOSTOptions.constructOST
(CrystalPotential crystalPotential, File lambdaRestartFile, File histogramRestartFile, MolecularAssembly firstAssembly, org.apache.commons.configuration2.Configuration addedProperties, DynamicsOptions dynamicsOptions, ThermodynamicsOptions thermodynamicsOptions, LambdaParticleOptions lambdaParticleOptions, AlgorithmListener algorithmListener, boolean async) constructOST. -
Uses of LambdaParticleOptions in ffx.algorithms.thermodynamics
ModifierConstructorDescriptionOrthogonalSpaceTempering
(LambdaInterface lambdaInterface, CrystalPotential potential, HistogramData histogramData, LambdaData lambdaData, org.apache.commons.configuration2.CompositeConfiguration properties, DynamicsOptions dynamicsOptions, LambdaParticleOptions lambdaParticleOptions, AlgorithmListener algorithmListener) OST Constructor.