Uses of Enum Class
ffx.numerics.Potential.VARIABLE_TYPE
Package
Description
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The Thermostats package implements thermostats for molecular dynamics simulations.
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. lambda dynamics on protonation).
The Real Space package implements real space structure refinement.
The X-ray package implements support for X-ray and Neutron refinement.
-
Uses of Potential.VARIABLE_TYPE in ffx.algorithms.dynamics
-
Uses of Potential.VARIABLE_TYPE in ffx.algorithms.dynamics.thermostats
Modifier and TypeFieldDescriptionprotected Potential.VARIABLE_TYPE[]
Thermostat.type
The type of each variable.ModifierConstructorDescriptionAdiabatic
(SystemState state, Potential.VARIABLE_TYPE[] type) Constructor for Adiabatic.Adiabatic
(SystemState state, Potential.VARIABLE_TYPE[] type, List<Constraint> constraints) Berendsen
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature) Constructor for Berendsen.Berendsen
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, double tau) Constructor for Berendsen.Berendsen
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, double tau, List<Constraint> constraints) Bussi
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature) Constructor for Bussi.Bussi
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, double tau) Constructor for Bussi.Bussi
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, double tau, List<Constraint> constraints) Thermostat
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature) Constructor for Thermostat.Thermostat
(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, List<Constraint> constraints) -
Uses of Potential.VARIABLE_TYPE in ffx.algorithms.thermodynamics
Modifier and TypeMethodDescriptionOrthogonalSpaceTempering.getVariableTypes()
Get the type of all variables. -
Uses of Potential.VARIABLE_TYPE in ffx.numerics
Modifier and TypeMethodDescriptionPotential.getVariableTypes()
Get the type of all variables.static Potential.VARIABLE_TYPE
Returns the enum constant of this class with the specified name.static Potential.VARIABLE_TYPE[]
Potential.VARIABLE_TYPE.values()
Returns an array containing the constants of this enum class, in the order they are declared. -
Uses of Potential.VARIABLE_TYPE in ffx.potential
Modifier and TypeMethodDescriptionANIEnergy.getVariableTypes()
DualTopologyEnergy.getVariableTypes()
Get the type of all variables.ForceFieldEnergy.getVariableTypes()
Get the type of all variables.QuadTopologyEnergy.getVariableTypes()
Get the type of all variables.XtalEnergy.getVariableTypes()
Get the type of all variables. -
Uses of Potential.VARIABLE_TYPE in ffx.potential.extended
-
Uses of Potential.VARIABLE_TYPE in ffx.realspace
Modifier and TypeMethodDescriptionRealSpaceEnergy.getVariableTypes()
Get the type of all variables. -
Uses of Potential.VARIABLE_TYPE in ffx.xray
Modifier and TypeMethodDescriptionRefinementEnergy.getVariableTypes()
Get the type of all variables.XRayEnergy.getVariableTypes()
Get the type of all variables.