Uses of Package
ffx.algorithms.mc
Package
Description
The MC package implements a variety of Monte Carlo moves for optimization and simulation
algorithms.
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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ClassDescriptionThe BoltzmannMC abstract class is a skeleton for Boltzmann-weighted Metropolis Monte Carlo simulations.The MCMove interface defines the basic functionality of a Monte Carlo move; that it can apply its move and revert it.The MetropolisMC interface defines the basic methods of a Metropolis Monte Carlo application.The MonteCarloListener will be notified at regular intervals during an MC algorithm.Mode of the RosenbluthChiAllMove instance.
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ClassDescriptionThe BoltzmannMC abstract class is a skeleton for Boltzmann-weighted Metropolis Monte Carlo simulations.The MCMove interface defines the basic functionality of a Monte Carlo move; that it can apply its move and revert it.The MetropolisMC interface defines the basic methods of a Metropolis Monte Carlo application.
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ClassDescriptionThe BoltzmannMC abstract class is a skeleton for Boltzmann-weighted Metropolis Monte Carlo simulations.The MetropolisMC interface defines the basic methods of a Metropolis Monte Carlo application.