Uses of Interface
ffx.numerics.Constraint

Packages that use Constraint

Package	Description
ffx.algorithms.dynamics.integrators	The Integrators package implements integrators for molecular dynamics simulations.
ffx.algorithms.dynamics.thermostats	The Thermostats package implements thermostats for molecular dynamics simulations.
ffx.numerics	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.
ffx.potential	The Potential package implements molecular mechanics force fields with shared memory Parallel Java and via OpenMM.
ffx.potential.bonded	The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions, etc.
ffx.potential.constraint
ffx.potential.extended	The Extended package is progress toward support for constant pH molecular dynamics using extended system variables (i.e. lambda dynamics on protonation).

Uses of Constraint in ffx.algorithms.dynamics.integrators

Fields in ffx.algorithms.dynamics.integrators with type parameters of type Constraint

Modifier and Type	Field	Description
protected List<Constraint>	Integrator.constraints	Any geometric constraints to apply during integration.

Methods in ffx.algorithms.dynamics.integrators that return types with arguments of type Constraint

Modifier and Type	Method	Description
List<Constraint>	Integrator.getConstraints()	Returns a copy of the list of Constraints.

Method parameters in ffx.algorithms.dynamics.integrators with type arguments of type Constraint

Modifier and Type	Method	Description
void	Integrator.addConstraints(List<Constraint> addedConstraints)	Adds a set of Constraints that this Integrator must respect.

Uses of Constraint in ffx.algorithms.dynamics.thermostats

Fields in ffx.algorithms.dynamics.thermostats with type parameters of type Constraint

Modifier and Type	Field	Description
protected List<Constraint>	Thermostat.constraints	Any geometric constraints to apply during integration.

Constructor parameters in ffx.algorithms.dynamics.thermostats with type arguments of type Constraint

Modifier	Constructor	Description
	Adiabatic(SystemState state, Potential.VARIABLE_TYPE[] type, List<Constraint> constraints)
	Berendsen(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, double tau, List<Constraint> constraints)
	Bussi(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, double tau, List<Constraint> constraints)
	Thermostat(SystemState state, Potential.VARIABLE_TYPE[] type, double targetTemperature, List<Constraint> constraints)

Uses of Constraint in ffx.numerics

Methods in ffx.numerics that return types with arguments of type Constraint

Modifier and Type	Method	Description
default List<Constraint>	Potential.getConstraints()	Returns the list of Constraints associated with this Potential.

Uses of Constraint in ffx.potential

Methods in ffx.potential that return types with arguments of type Constraint

Modifier and Type	Method	Description
List<Constraint>	ForceFieldEnergy.getConstraints()	Returns a copy of the list of constraints this ForceFieldEnergy has.

Uses of Constraint in ffx.potential.bonded

Methods in ffx.potential.bonded with parameters of type Constraint

Modifier and Type	Method	Description
void	Angle.setConstraint(Constraint c)
void	BondedTerm.setConstraint(Constraint c)	Sets the Constraint on this bond (clearing it if null).

Uses of Constraint in ffx.potential.constraint

Classes in ffx.potential.constraint that implement Constraint

Modifier and Type	Class	Description
class	CcmaConstraint
class	SettleConstraint	SETTLE triatomic distance constraints, intended for rigid water models.
class	ShakeChargeConstraint

Uses of Constraint in ffx.potential.extended

Methods in ffx.potential.extended that return types with arguments of type Constraint

Modifier and Type	Method	Description
List<Constraint>	ExtendedSystem.getConstraints()