Uses of Enum Class
ffx.potential.parameters.MultipoleType.MultipoleFrameDefinition

Packages that use MultipoleType.MultipoleFrameDefinition

Package	Description
ffx.potential.nonbonded.pme	The pme package implements polarization and permanent electrostatics using Particle Mesh Ewald (PME).
ffx.potential.parameters	The Parameters package stores force field atom types, bond types, etc, and keywords that define the potential.

Uses of MultipoleType.MultipoleFrameDefinition in ffx.potential.nonbonded.pme

Methods in ffx.potential.nonbonded.pme with parameters of type MultipoleType.MultipoleFrameDefinition

Modifier and Type	Method	Description
void	InitializationRegion.init(boolean lambdaTerm, AlchemicalParameters alchemicalParameters, ExtendedSystem esvSystem, Atom[] atoms, double[][][] coordinates, Crystal crystal, MultipoleType.MultipoleFrameDefinition[] frame, int[][] axisAtom, double[][][] globalMultipole, double[][][] titrationMultipole, double[][][] tautomerMultipole, double[] polarizability, double[] titrationPolarizability, double[] tautomerPolarizability, double[] thole, double[] ipdamp, boolean[] use, int[][][] neighborLists, int[][][] realSpaceLists, AtomicDoubleArray3D grad, AtomicDoubleArray3D torque, AtomicDoubleArray3D lambdaGrad, AtomicDoubleArray3D lambdaTorque)
void	RealSpaceEnergyRegion.init(Atom[] atoms, Crystal crystal, ExtendedSystem extendedSystem, boolean esvTerm, double[][][] coordinates, MultipoleType.MultipoleFrameDefinition[] frame, int[][] axisAtom, double[][][] globalMultipole, double[][][] titrationMultipole, double[][][] tautomerMultipole, double[][][] inducedDipole, double[][][] inducedDipoleCR, boolean[] use, int[] molecule, int[][] ip11, int[][] mask12, int[][] mask13, int[][] mask14, int[][] mask15, boolean[] isSoft, double[] ipdamp, double[] thole, RealSpaceNeighborParameters realSpaceNeighborParameters, boolean gradient, boolean lambdaTerm, boolean nnTerm, LambdaMode lambdaMode, Polarization polarization, EwaldParameters ewaldParameters, ScaleParameters scaleParameters, AlchemicalParameters alchemicalParameters, long[] realSpaceEnergyTime, AtomicDoubleArray3D grad, AtomicDoubleArray3D torque, AtomicDoubleArray3D lambdaGrad, AtomicDoubleArray3D lambdaTorque, SharedDouble shareddEdLambda, SharedDouble sharedd2EdLambda2)
void	ReduceRegion.init(boolean lambdaTerm, boolean gradient, Atom[] atoms, double[][][] coordinates, MultipoleType.MultipoleFrameDefinition[] frame, int[][] axisAtom, AtomicDoubleArray3D grad, AtomicDoubleArray3D torque, AtomicDoubleArray3D lambdaGrad, AtomicDoubleArray3D lambdaTorque)
void	Torque.init(int[][] axisAtom, MultipoleType.MultipoleFrameDefinition[] frame, double[][][] coordinates)

Uses of MultipoleType.MultipoleFrameDefinition in ffx.potential.parameters

Subclasses with type arguments of type MultipoleType.MultipoleFrameDefinition in ffx.potential.parameters

Modifier and Type	Class	Description
static enum	MultipoleType.MultipoleFrameDefinition	The local multipole frame is defined by the Z-then-X or Bisector convention.

Fields in ffx.potential.parameters declared as MultipoleType.MultipoleFrameDefinition

Modifier and Type	Field	Description
final MultipoleType.MultipoleFrameDefinition	MultipoleType.frameDefinition	Local frame definition method.

Methods in ffx.potential.parameters that return MultipoleType.MultipoleFrameDefinition

Modifier and Type	Method	Description
static MultipoleType.MultipoleFrameDefinition	MultipoleType.MultipoleFrameDefinition.valueOf(String name)	Returns the enum constant of this class with the specified name.
static MultipoleType.MultipoleFrameDefinition[]	MultipoleType.MultipoleFrameDefinition.values()	Returns an array containing the constants of this enum class, in the order they are declared.

Methods in ffx.potential.parameters with parameters of type MultipoleType.MultipoleFrameDefinition

Modifier and Type	Method	Description
static boolean	MultipoleType.assignMultipole(ForceField.ELEC_FORM elecForm, Atom atom, ForceField forceField, double[] multipole, int i, int[][] axisAtom, MultipoleType.MultipoleFrameDefinition[] frame)	Assign the multipole type.
static boolean	MultipoleType.checkMultipoleChirality(MultipoleType.MultipoleFrameDefinition frame, double[] localOrigin, double[][] frameCoords)	checkMultipoleChirality.
static double[][]	MultipoleType.getRotationMatrix(MultipoleType.MultipoleFrameDefinition frame, double[] localOrigin, double[][] frameCoords)	Return the rotation matrix for the local to lab frame.
static void	MultipoleType.getRotationMatrix(MultipoleType.MultipoleFrameDefinition frame, double[] localOrigin, double[][] frameCoords, double[][] rotMat)	Return the rotation matrix for the local to lab frame.

Constructors in ffx.potential.parameters with parameters of type MultipoleType.MultipoleFrameDefinition

Modifier	Constructor	Description
	MultipoleType(double[] multipole, int[] frameAtomTypes, MultipoleType.MultipoleFrameDefinition frameDefinition, boolean convertFromBohr)	Multipole Constructor.
	MultipoleType(double charge, double[] dipole, double[][] quadrupole, int[] frameAtomTypes, MultipoleType.MultipoleFrameDefinition frameDefinition, boolean convertFromBohr)	Constructor for MultipoleType.