Uses of Class
edu.rit.pj.reduction.SharedDouble

Packages that use SharedDouble

Package	Description
edu.rit.mp	The MP package provides low-level support for Message Passing.
edu.rit.mp.buf	The BUF package provides data buffers for Message Passing.
ffx.potential.nonbonded.pme	The pme package implements polarization and permanent electrostatics using Particle Mesh Ewald (PME).
ffx.potential.terms	The terms package contains analytical potential energy terms and their gradients for bonded interactions (bond, angle, stretch-bend, torsions, impropers, Urey-Bradley) and restraint terms used by Force Field X.

Uses of SharedDouble in edu.rit.mp

Methods in edu.rit.mp with parameters of type SharedDouble

Modifier and Type	Method	Description
static DoubleBuf	DoubleBuf.buffer(SharedDouble item)	Create a buffer for a shared double item.

Uses of SharedDouble in edu.rit.mp.buf

Constructors in edu.rit.mp.buf with parameters of type SharedDouble

Modifier	Constructor	Description
	SharedDoubleBuf(SharedDouble item)	Construct a new shared double buffer.

Uses of SharedDouble in ffx.potential.nonbonded.pme

Methods in ffx.potential.nonbonded.pme with parameters of type SharedDouble

Modifier and Type	Method	Description
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	ReciprocalEnergyRegion.init(Atom[] atoms, Crystal crystal, boolean gradient, boolean lambdaTerm, boolean esvTerm, boolean[] use, double[][][] globalMultipole, double[][][] globalFracMultipole, double[][][] titrationMultipole, double[][][] tautomerMultipole, double[][] cartMultipolePhi, double[][] fracMultipolePhi, Polarization polarization, double[][][] inducedDipole, double[][][] inducedDipoleCR, double[][] cartesianDipolePhi, double[][] cartesianDipolePhiCR, double[][] fracInducedDipolePhi, double[][] fracInducedDipolePhiCR, ReciprocalSpace reciprocalSpace, AlchemicalParameters alchemicalParameters, ExtendedSystem extendedSystem, AtomicDoubleArray3D grad, AtomicDoubleArray3D torque, AtomicDoubleArray3D lambdaGrad, AtomicDoubleArray3D lambdaTorque, SharedDouble shareddEdLambda, SharedDouble sharedd2EdLambda2)

Uses of SharedDouble in ffx.potential.terms

Fields in ffx.potential.terms declared as SharedDouble

Modifier and Type	Field	Description
protected SharedDouble	EnergyTerm.energy	Total potential energy for this term.