Uses of Interface
ffx.potential.bonded.LambdaInterface

Packages that use LambdaInterface

Package	Description
ffx.algorithms.thermodynamics	The Thermodynamics package computes free energy differences using Orthogonal Space Tempering (OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
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.nonbonded	The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and Particle Mesh Ewald electrostastics.
ffx.potential.openmm
ffx.realspace	The Real Space package implements real space structure refinement.
ffx.xray	The X-ray package implements support for X-ray and Neutron refinement.

Uses of LambdaInterface in ffx.algorithms.thermodynamics

Classes in ffx.algorithms.thermodynamics that implement LambdaInterface

Modifier and Type	Class	Description
class	OrthogonalSpaceTempering	An implementation of the Orthogonal Space Tempering algorithm.

Constructors in ffx.algorithms.thermodynamics with parameters of type LambdaInterface

Modifier	Constructor	Description
	OrthogonalSpaceTempering(LambdaInterface lambdaInterface, CrystalPotential potential, HistogramData histogramData, LambdaData lambdaData, org.apache.commons.configuration2.CompositeConfiguration properties, DynamicsOptions dynamicsOptions, LambdaParticleOptions lambdaParticleOptions, AlgorithmListener algorithmListener)	OST Constructor.

Uses of LambdaInterface in ffx.potential

Classes in ffx.potential that implement LambdaInterface

Modifier and Type	Class	Description
class	ANIEnergy
class	DualTopologyEnergy	Compute the potential energy and derivatives for a dual-topology system.
class	ForceFieldEnergy	Compute the potential energy and derivatives of a molecular system described by a force field.
class	QuadTopologyEnergy	Implements an error-canceling quad topology, where two large dual-topology simulation legs are run simultaneously to arrive at a small sum.

Methods in ffx.potential with parameters of type LambdaInterface

Modifier and Type	Method	Description
static double	FiniteDifferenceUtils.computedEdL(Potential potential, LambdaInterface lambdaInterface, ForceField forceField)	Compute dE/dL using finite differences.

Uses of LambdaInterface in ffx.potential.bonded

Classes in ffx.potential.bonded that implement LambdaInterface

Modifier and Type	Class	Description
class	AngleTorsion	The AngleTorsion class represents an angle torsion coupling between four bonded atoms.
class	PiOrbitalTorsion	The Pi-Orbital Torsion class.
class	RestrainDistance	RestraintDistance class.
class	RestraintTorsion
class	StretchTorsion	The StretchTorsion class represents a coupling between a torsional angle and the three bonds contained in the torsion, as defined in the 2017 AMOEBA nucleic acid force field.
class	Torsion	The Torsion class represents a torsional angle formed between four bonded atoms.
class	TorsionTorsion	The TorsionTorsion class represents two adjacent torsional angles formed by five bonded atoms.

Uses of LambdaInterface in ffx.potential.nonbonded

Classes in ffx.potential.nonbonded that implement LambdaInterface

Modifier and Type	Class	Description
class	COMRestraint	Restrain molecules to their center of mass.
class	GeneralizedKirkwood	This Generalized Kirkwood class implements GK for the AMOEBA polarizable atomic multipole force field in parallel using a NeighborList.
class	NCSRestraint	Given unit cell parameters and symmetry operators, NCS copies are restrained to the asymmetric unit atoms.
class	ParticleMeshEwald	This Particle Mesh Ewald class implements PME for the AMOEBA polarizable mutlipole force field in parallel using a NeighborList for any Crystal space group.
class	RestrainPosition	Restrain the position of atoms to their initial coordinates.
class	VanDerWaals	The Van der Waals class computes Van der Waals interaction in parallel using a NeighborList for any Crystal.
class	VanDerWaalsTornado	The Van der Waals class computes Van der Waals interaction in parallel using a NeighborList for P1 (no symmetry) Crystal systems.

Uses of LambdaInterface in ffx.potential.openmm

Classes in ffx.potential.openmm that implement LambdaInterface

Modifier and Type	Class	Description
class	OpenMMEnergy	Compute the potential energy and derivatives using OpenMM.

Uses of LambdaInterface in ffx.realspace

Classes in ffx.realspace that implement LambdaInterface

Modifier and Type	Class	Description
class	RealSpaceEnergy	Combine the Real Space target and chemical potential energy.

Uses of LambdaInterface in ffx.xray

Classes in ffx.xray that implement LambdaInterface

Modifier and Type	Class	Description
class	RefinementEnergy	Combine the X-ray target and chemical potential energy using the CrystalPotential interface
class	XRayEnergy	Combine the X-ray target and chemical potential energy.