Uses of Interface
ffx.numerics.optimization.OptimizationListener
Packages that use OptimizationListener
Package
Description
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
The Optimization package implements the limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS)
algorithm for large-scale multidimensional unconstrained optimization problems.
The X-ray package implements support for X-ray and Neutron refinement.
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Uses of OptimizationListener in ffx.algorithms.optimize
Classes in ffx.algorithms.optimize that implement OptimizationListenerModifier and TypeClassDescriptionclass
Minimize the energy of a system to an RMS gradient per atom convergence criteria.class
Minimize the potential energy of a system to an RMS gradient per atom convergence criteria.class
Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy.class
Minimize the potential energy of a system to an RMS gradient per atom convergence criteria. -
Uses of OptimizationListener in ffx.numerics.optimization
Methods in ffx.numerics.optimization with parameters of type OptimizationListenerModifier and TypeMethodDescriptionstatic int
LBFGS.minimize
(int n, int mSave, double[] x, double f, double[] g, double eps, int maxIterations, OptimizationInterface potential, OptimizationListener listener) This method solves the unconstrained minimization problemstatic int
LBFGS.minimize
(int n, int mSave, double[] x, double f, double[] g, double eps, OptimizationInterface potential, OptimizationListener listener) This method solves the unconstrained minimization problem -
Uses of OptimizationListener in ffx.xray
Classes in ffx.xray that implement OptimizationListenerModifier and TypeClassDescriptionclass
Refinement minimization class usingOptimizationListener
interface, constructs aRefinementEnergy
object for this purposeclass
ScaleBulkMinimize class.class
SigmaAMinimize class.class
SplineMinimize class.