Uses of Enum Class
ffx.numerics.Potential.STATE
Package
Description
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The Thermodynamics package computes free energy differences using Orthogonal Space Tempering
(OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
The Numerics package has support for atomic double arrays, FFTs (1D and 3D), numerical
integration (1D), complex numbers, vector operations, multipole tensors, multi-dimensional
optimization, special functions, splines and switching functions.
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
The Extended package is progress toward support for constant pH molecular dynamics using extended
system variables (i.e.
The Real Space package implements real space structure refinement.
The X-ray package implements support for X-ray and Neutron refinement.
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Uses of Potential.STATE in ffx.algorithms.dynamics
Modifier and TypeMethodDescriptionBarostat.getEnergyTermState()
Get the Potential Energy terms that is active.Modifier and TypeMethodDescriptionvoid
Barostat.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active. -
Uses of Potential.STATE in ffx.algorithms.thermodynamics
Modifier and TypeFieldDescriptionprotected Potential.STATE
OrthogonalSpaceTempering.state
Are FAST varying energy terms being computed, SLOW varying energy terms, or BOTH.Modifier and TypeMethodDescriptionOrthogonalSpaceTempering.getEnergyTermState()
Get the Potential Energy terms that is active.Modifier and TypeMethodDescriptionvoid
OrthogonalSpaceTempering.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active. -
Uses of Potential.STATE in ffx.numerics
Modifier and TypeMethodDescriptionPotential.getEnergyTermState()
Get the Potential Energy terms that is active.static Potential.STATE
Returns the enum constant of this class with the specified name.static Potential.STATE[]
Potential.STATE.values()
Returns an array containing the constants of this enum class, in the order they are declared.Modifier and TypeMethodDescriptionvoid
Potential.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active. -
Uses of Potential.STATE in ffx.potential
Modifier and TypeMethodDescriptionANIEnergy.getEnergyTermState()
DualTopologyEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.ForceFieldEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.QuadTopologyEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.XtalEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.Modifier and TypeMethodDescriptionvoid
ANIEnergy.setEnergyTermState
(Potential.STATE state) void
DualTopologyEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active.void
ForceFieldEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active.void
QuadTopologyEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active.void
XtalEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active. -
Uses of Potential.STATE in ffx.potential.extended
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Uses of Potential.STATE in ffx.realspace
Modifier and TypeMethodDescriptionRealSpaceEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.Modifier and TypeMethodDescriptionvoid
RealSpaceEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active. -
Uses of Potential.STATE in ffx.xray
Modifier and TypeMethodDescriptionRefinementEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.XRayEnergy.getEnergyTermState()
Get the Potential Energy terms that is active.Modifier and TypeMethodDescriptionvoid
RefinementEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active.void
XRayEnergy.setEnergyTermState
(Potential.STATE state) Set the Potential Energy terms that should be active.