Uses of Class
ffx.potential.ForceFieldEnergy

Packages that use ForceFieldEnergy

Package	Description
ffx.algorithms.mc	The MC package implements a variety of Monte Carlo moves for optimization and simulation algorithms.
ffx.potential	The Potential package implements molecular mechanics force fields with shared memory Parallel Java and via OpenMM.
ffx.potential.cli	The Potential CLI package defines reusable options for PicoCLI command line scripts.
ffx.potential.openmm	The openmm package contains utilities to construct and run Force Field X potentials on the OpenMM platform, including system builders, custom forces, alchemical fixed-charge forces, and integrators tailored to FFX simulations.
ffx.potential.utils	The Utils package implements core functionality needed for using the Potential package, such as opening and closing structure files, basic force field energy evaluations, etc.
ffx.ui	The UI package provides views and controllers for manipulating molecular systems.

Uses of ForceFieldEnergy in ffx.algorithms.mc

Constructors in ffx.algorithms.mc with parameters of type ForceFieldEnergy

Modifier	Constructor	Description
	RosenbluthCBMC(MolecularAssembly molecularAssembly, ForceFieldEnergy ffe, Thermostat thermostat, List<Residue> targets, int mcFrequency, int trialSetSize, boolean writeSnapshots)	RRMC constructor.
	RosenbluthOBMC(MolecularAssembly molecularAssembly, ForceFieldEnergy forceFieldEnergy, Thermostat thermostat, List<Residue> targets, int mcFrequency, int trialSetSize)	RRMC constructor.
	RosenbluthOBMC(MolecularAssembly molecularAssembly, ForceFieldEnergy forceFieldEnergy, Thermostat thermostat, List<Residue> targets, int mcFrequency, int trialSetSize, boolean writeSnapshots)	Constructor for RosenbluthOBMC.

Uses of ForceFieldEnergy in ffx.potential

Methods in ffx.potential that return ForceFieldEnergy

Modifier and Type	Method	Description
static ForceFieldEnergy	ForceFieldEnergy.energyFactory(MolecularAssembly assembly)	Static factory method to create a ForceFieldEnergy, possibly via FFX or OpenMM implementations.
static ForceFieldEnergy	ForceFieldEnergy.energyFactory(MolecularAssembly assembly, int numThreads)	Static factory method to create a ForceFieldEnergy, possibly via FFX or OpenMM implementations.
ForceFieldEnergy	DualTopologyEnergy.getForceFieldEnergy1()	Get the ForceFieldEnergy for topology 1.
ForceFieldEnergy	DualTopologyEnergy.getForceFieldEnergy2()	Get the ForceFieldEnergy for topology 2.
ForceFieldEnergy	MolecularAssembly.getPotentialEnergy()	Getter for the field potentialEnergy.

Methods in ffx.potential with parameters of type ForceFieldEnergy

Modifier and Type	Method	Description
void	MolecularAssembly.setPotential(ForceFieldEnergy potentialEnergy)	setPotential

Constructors in ffx.potential with parameters of type ForceFieldEnergy

Modifier	Constructor	Description
	XtalEnergy(ForceFieldEnergy forceFieldEnergy, MolecularAssembly molecularAssembly)	Constructor for XtalEnergy.
	XtalEnergy(ForceFieldEnergy forceFieldEnergy, MolecularAssembly molecularAssembly, boolean latticeOnly)	Constructor for XtalEnergy.

Uses of ForceFieldEnergy in ffx.potential.cli

Methods in ffx.potential.cli with parameters of type ForceFieldEnergy

Modifier and Type	Method	Description
void	SaveOptions.preSaveOperations(ForceFieldEnergy forceFieldEnergy)	Performs key operations prior to saving to disc, such as application of geometric constraints.

Uses of ForceFieldEnergy in ffx.potential.openmm

Subclasses of ForceFieldEnergy in ffx.potential.openmm

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

Fields in ffx.potential.openmm declared as ForceFieldEnergy

Modifier and Type	Field	Description
protected ForceFieldEnergy	OpenMMDualTopologySystem.forceFieldEnergy	The ForceFieldEnergy instance for the first topology.
protected ForceFieldEnergy	OpenMMDualTopologySystem.forceFieldEnergy2	The ForceFieldEnergy instance for the second topology.

Methods in ffx.potential.openmm that return ForceFieldEnergy

Modifier and Type	Method	Description
ForceFieldEnergy	OpenMMDualTopologyEnergy.getForceFieldEnergy(int topology)	Get the OpenMMEnergy for the specified topology.

Uses of ForceFieldEnergy in ffx.potential.utils

Methods in ffx.potential.utils that return ForceFieldEnergy

Modifier and Type	Method	Description
ForceFieldEnergy	PotentialsFunctions.energy(MolecularAssembly assembly)	Evaluates the energy of a MolecularAssembly and returns its ForceFieldEnergy object.
ForceFieldEnergy[]	PotentialsFunctions.energy(MolecularAssembly[] molecularAssemblies)	Evaluates the energy of each MolecularAssembly and returns their ForceFieldEnergy instances.
ForceFieldEnergy	PotentialsUtils.energy(MolecularAssembly molecularAssembly)	Evaluates the energy of a MolecularAssembly and returns its ForceFieldEnergy object.
ForceFieldEnergy[]	PotentialsUtils.energy(MolecularAssembly[] molecularAssemblies)	Evaluates the energy of each MolecularAssembly and returns their ForceFieldEnergy instances.

Uses of ForceFieldEnergy in ffx.ui

Methods in ffx.ui that return ForceFieldEnergy

Modifier and Type	Method	Description
ForceFieldEnergy	ModelingShell.energy()	energy
ForceFieldEnergy	UIUtils.energy(MolecularAssembly molecularAssembly)