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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)