Uses of Enum Class
ffx.algorithms.dynamics.MolecularDynamics.WriteActions
Package
Description
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The MC package implements a variety of Monte Carlo moves for optimization and simulation
algorithms.
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Uses of MolecularDynamics.WriteActions in ffx.algorithms.dynamics
Modifier and TypeMethodDescriptionReturns the enum constant of this class with the specified name.static MolecularDynamics.WriteActions[]
MolecularDynamics.WriteActions.values()
Returns an array containing the constants of this enum class, in the order they are declared.Modifier and TypeMethodDescriptionMolecularDynamics.writeFilesForStep
(long step, boolean trySnapshot, boolean tryRestart) Write restart and trajectory files if the provided step matches the frequency and that file type is requested.MolecularDynamics.writeFilesForStep
(long step, boolean trySnapshot, boolean tryRestart, String[] extraLines) Write restart and trajectory files if the provided step matches the frequency and that file type is requested. -
Uses of MolecularDynamics.WriteActions in ffx.algorithms.mc
Modifier and TypeMethodDescriptionMDMove.writeFilesForStep
(long mdStep, boolean trySnapshot, boolean tryRestart) Write restart and trajectory files if the provided step matches the frequency.