Uses of Enum Class
ffx.algorithms.dynamics.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
Modifier 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
Modifier 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.Modifier and TypeMethodDescriptionstatic MolecularDynamics
MolecularDynamics.dynamicsFactory
(MolecularAssembly assembly, Potential potentialEnergy, org.apache.commons.configuration2.CompositeConfiguration properties, AlgorithmListener listener, ThermostatEnum requestedThermostat, IntegratorEnum requestedIntegrator, MolecularDynamics.DynamicsEngine engine) dynamicsFactory.