Uses of Class
ffx.algorithms.optimize.Minimize
Package
Description
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
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Uses of Minimize in ffx.algorithms.optimize
Modifier and TypeClassDescriptionclass
Minimize the energy of a system to an RMS gradient per atom convergence criteria.class
OpenMM accelerated L-BFGS minimization.Modifier and TypeMethodDescriptionstatic Minimize
Minimize.minimizeFactory
(MolecularAssembly assembly, Potential potentialEnergy, AlgorithmListener listener, Minimize.MinimizationEngine engine) dynamicsFactory.