Uses of Enum Class
ffx.algorithms.dynamics.MDEngine
Packages that use MDEngine
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 MDEngine in ffx.algorithms.cli
Methods in ffx.algorithms.cli with parameters of type MDEngineModifier and TypeMethodDescriptionDynamicsOptions.getDynamics
(WriteoutOptions writeoutOptions, Potential potential, MolecularAssembly activeAssembly, AlgorithmListener algorithmListener, MDEngine requestedEngine) Initialize a MolecularDynamics from the parsed options. -
Uses of MDEngine in ffx.algorithms.dynamics
Methods in ffx.algorithms.dynamics that return MDEngineModifier and TypeMethodDescriptionstatic MDEngine
Returns the enum constant of this class with the specified name.static MDEngine[]
MDEngine.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 MDEngineModifier and TypeMethodDescriptionstatic MolecularDynamics
MolecularDynamics.dynamicsFactory
(MolecularAssembly assembly, Potential potentialEnergy, AlgorithmListener listener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator, MDEngine engine) dynamicsFactory.