Uses of Enum Class
ffx.algorithms.dynamics.MolecularDynamics.DynamicsEngine
Packages that use MolecularDynamics.DynamicsEngine
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
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Uses of MolecularDynamics.DynamicsEngine in ffx.algorithms.cli
Methods in ffx.algorithms.cli with parameters of type MolecularDynamics.DynamicsEngineModifier and TypeMethodDescriptionDynamicsOptions.getDynamics(WriteoutOptions writeoutOptions, Potential potential, MolecularAssembly activeAssembly, AlgorithmListener algorithmListener, MolecularDynamics.DynamicsEngine requestedEngine) Initialize a MolecularDynamics from the parsed options. -
Uses of MolecularDynamics.DynamicsEngine in ffx.algorithms.dynamics
Methods in ffx.algorithms.dynamics that return MolecularDynamics.DynamicsEngineModifier and TypeMethodDescriptionReturns the enum constant of this class with the specified name.static MolecularDynamics.DynamicsEngine[]MolecularDynamics.DynamicsEngine.values()Returns an array containing the constants of this enum class, in the order they are declared.Methods in ffx.algorithms.dynamics with parameters of type MolecularDynamics.DynamicsEngineModifier and TypeMethodDescriptionstatic MolecularDynamicsMolecularDynamics.dynamicsFactory(MolecularAssembly assembly, Potential potentialEnergy, org.apache.commons.configuration2.CompositeConfiguration properties, AlgorithmListener listener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator, MolecularDynamics.DynamicsEngine engine) dynamicsFactory.