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Numerical Algorithms Group

Mark 20 Library Contents

A00:  Library Identification

A00AAF    Prints details of the NAG Fortran Library implementation

A02:  Complex Arithmetic

Chapter Introduction
A02AAF    Square root of complex number
A02ABF    Modulus of complex number
A02ACF    Quotient of two complex numbers

C02:  Zeros of Polynomials

Chapter Introduction
C02AFF    All zeros of complex polynomial, modified Laguerre method
C02AGF    All zeros of real polynomial, modified Laguerre method
C02AHF    All zeros of complex quadratic equation
C02AJF    All zeros of real quadratic equation
C02AKF    All zeros of real cubic equation
C02ALF    All zeros of real quartic equation
C02AMF    All zeros of complex cubic equation
C02ANF    All zeros of complex quartic equation

C05:  Roots of One or More Transcendental Equations

Chapter Introduction
C05ADF    Zero of continuous function in given interval, Bus and Dekker algorithm
C05AGF    Zero of continuous function, Bus and Dekker algorithm, from given starting value, binary search for interval
C05AJF    Zero of continuous function, continuation method, from a given starting value
C05AVF    Binary search for interval containing zero of continuous function (reverse communication)
C05AXF    Zero of continuous function by continuation method, from given starting value (reverse communication)
C05AZF    Zero in given interval of continuous function by Bus and Dekker algorithm (reverse communication)
C05NBF    Solution of system of nonlinear equations using function values only (easy-to-use)
C05NCF    Solution of system of nonlinear equations using function values only (comprehensive)
C05NDF    Solution of system of nonlinear equations using function values only (reverse communication)
C05PBF    Solution of system of nonlinear equations using first derivatives (easy-to-use)
C05PCF    Solution of system of nonlinear equations using first derivatives (comprehensive)
C05PDF    Solution of system of nonlinear equations using first derivatives (reverse communication)
C05ZAF    Check user's routine for calculating first derivatives

C06:  Summation of Series

Chapter Introduction
C06BAF    Acceleration of convergence of sequence, Shanks' transformation and epsilon algorithm
C06DBF    Sum of a Chebyshev series
C06EAF    Single one-dimensional real discrete Fourier transform, no extra workspace
C06EBF    Single one-dimensional Hermitian discrete Fourier transform, no extra workspace
C06ECF    Single one-dimensional complex discrete Fourier transform, no extra workspace
C06EKF    Circular convolution or correlation of two real vectors, no extra workspace
C06FAF    Single one-dimensional real discrete Fourier transform, extra workspace for greater speed
C06FBF    Single one-dimensional Hermitian discrete Fourier transform, extra workspace for greater speed
C06FCF    Single one-dimensional complex discrete Fourier transform, extra workspace for greater speed
C06FFF    One-dimensional complex discrete Fourier transform of multi-dimensional data
C06FJF    Multi-dimensional complex discrete Fourier transform of multi-dimensional data
C06FKF    Circular convolution or correlation of two real vectors, extra workspace for greater speed
C06FPF    Multiple one-dimensional real discrete Fourier transforms
C06FQF    Multiple one-dimensional Hermitian discrete Fourier transforms
C06FRF    Multiple one-dimensional complex discrete Fourier transforms
C06FUF    Two-dimensional complex discrete Fourier transform
C06FXF    Three-dimensional complex discrete Fourier transform
C06GBF    Complex conjugate of Hermitian sequence
C06GCF    Complex conjugate of complex sequence
C06GQF    Complex conjugate of multiple Hermitian sequences
C06GSF    Convert Hermitian sequences to general complex sequences
C06HAF    Discrete sine transform
C06HBF    Discrete cosine transform
C06HCF    Discrete quarter-wave sine transform
C06HDF    Discrete quarter-wave cosine transform
C06LAF    Inverse Laplace transform, Crump's method
C06LBF    Inverse Laplace transform, modified Weeks' method
C06LCF    Evaluate inverse Laplace transform as computed by C06LBF
C06PAF    Single one-dimensional real and Hermitian complex discrete Fourier transform, using complex data format for Hermitian sequences
C06PCF    Single one-dimensional complex discrete Fourier transform, complex data format
C06PFF    One-dimensional complex discrete Fourier transform of multi-dimensional data (using complex data type)
C06PJF    Multi-dimensional complex discrete Fourier transform of multi-dimensional data (using complex data type)
C06PKF    Circular convolution or correlation of two complex vectors
C06PPF    Multiple one-dimensional real and Hermitian complex discrete Fourier transforms, using complex data format for Hermitian sequences
C06PQF    Multiple one-dimensional real and Hermitian complex discrete Fourier transforms, using complex data format for Hermitian sequences
C06PRF    Multiple one-dimensional complex discrete Fourier transforms using complex data format
C06PSF    Multiple one-dimensional complex discrete Fourier transforms using complex data format and sequences stored as columns
C06PUF    Two-dimensional complex discrete Fourier transform, complex data format
C06PXF    Three-dimensional complex discrete Fourier transform, complex data format
C06RAF    Discrete sine transform (easy-to-use)
C06RBF    Discrete cosine transform (easy-to-use)
C06RCF    Discrete quarter-wave sine transform (easy-to-use)
C06RDF    Discrete quarter-wave cosine transform (easy-to-use)

D01:  Quadrature

Chapter Introduction
D01AHF    One-dimensional quadrature, adaptive, finite interval, strategy due to Patterson, suitable for well-behaved integrands
D01AJF    One-dimensional quadrature, adaptive, finite interval, strategy due to Piessens and de Doncker, allowing for badly-behaved integrands
D01AKF    One-dimensional quadrature, adaptive, finite interval, method suitable for oscillating functions
D01ALF    One-dimensional quadrature, adaptive, finite interval, allowing for singularities at user-specified break-points
D01AMF    One-dimensional quadrature, adaptive, infinite or semi-infinite interval
D01ANF    One-dimensional quadrature, adaptive, finite interval, weight function cos(omega x) or sin(omega x)
D01APF    One-dimensional quadrature, adaptive, finite interval, weight function with end-point singularities of algebraico-logarithmic type
D01AQF    One-dimensional quadrature, adaptive, finite interval, weight function 1/(x-c), Cauchy principal value (Hilbert transform)
D01ARF    One-dimensional quadrature, non-adaptive, finite interval with provision for indefinite integrals
D01ASF    One-dimensional quadrature, adaptive, semi-infinite interval, weight function cos(omega x) or sin(omega x)
D01ATF    One-dimensional quadrature, adaptive, finite interval, variant of D01AJF efficient on vector machines
D01AUF    One-dimensional quadrature, adaptive, finite interval, variant of D01AKF efficient on vector machines
D01BAF    One-dimensional Gaussian quadrature
D01BBF    Pre-computed weights and abscissae for Gaussian quadrature rules, restricted choice of rule
D01BCF    Calculation of weights and abscissae for Gaussian quadrature rules, general choice of rule
D01BDF    One-dimensional quadrature, non-adaptive, finite interval
D01DAF    Two-dimensional quadrature, finite region
D01EAF    Multi-dimensional adaptive quadrature over hyper-rectangle, multiple integrands
D01FBF    Multi-dimensional Gaussian quadrature over hyper-rectangle
D01FCF    Multi-dimensional adaptive quadrature over hyper-rectangle
D01FDF    Multi-dimensional quadrature, Sag–Szekeres method, general product region or n-sphere
D01GAF    One-dimensional quadrature, integration of function defined by data values, Gill–Miller method
D01GBF    Multi-dimensional quadrature over hyper-rectangle, Monte Carlo method
D01GCF    Multi-dimensional quadrature, general product region, number-theoretic method
D01GDF    Multi-dimensional quadrature, general product region, number-theoretic method, variant of D01GCF efficient on vector machines
D01GYF    Korobov optimal coefficients for use in D01GCF or D01GDF, when number of points is prime
D01GZF    Korobov optimal coefficients for use in D01GCF or D01GDF, when number of points is product of two primes
D01JAF    Multi-dimensional quadrature over an n-sphere, allowing for badly-behaved integrands
D01PAF    Multi-dimensional quadrature over an n-simplex

D02:  Ordinary Differential Equations

Chapter Introduction
D02AGF    ODEs, boundary value problem, shooting and matching technique, allowing interior matching point, general parameters to be determined
D02BGF    ODEs, IVP, Runge–Kutta–Merson method, until a component attains given value (simple driver)
D02BHF    ODEs, IVP, Runge–Kutta–Merson method, until function of solution is zero (simple driver)
D02BJF    ODEs, IVP, Runge–Kutta method, until function of solution is zero, integration over range with intermediate output (simple driver)
D02CJF    ODEs, IVP, Adams method, until function of solution is zero, intermediate output (simple driver)
D02EJF    ODEs, stiff IVP, BDF method, until function of solution is zero, intermediate output (simple driver)
D02GAF    ODEs, boundary value problem, finite difference technique with deferred correction, simple nonlinear problem
D02GBF    ODEs, boundary value problem, finite difference technique with deferred correction, general linear problem
D02HAF    ODEs, boundary value problem, shooting and matching, boundary values to be determined
D02HBF    ODEs, boundary value problem, shooting and matching, general parameters to be determined
D02JAF    ODEs, boundary value problem, collocation and least-squares, single nth-order linear equation
D02JBF    ODEs, boundary value problem, collocation and least-squares, system of first-order linear equations
D02KAF    Second-order Sturm–Liouville problem, regular system, finite range, eigenvalue only
D02KDF    Second-order Sturm–Liouville problem, regular/singular system, finite/infinite range, eigenvalue only, user-specified break-points
D02KEF    Second-order Sturm–Liouville problem, regular/singular system, finite/infinite range, eigenvalue and eigenfunction, user-specified break-points
D02LAF    Second-order ODEs, IVP, Runge–Kutta–Nystrom method
D02LXF    Second-order ODEs, IVP, setup for D02LAF
D02LYF    Second-order ODEs, IVP, diagnostics for D02LAF
D02LZF    Second-order ODEs, IVP, interpolation for D02LAF
D02M/N Introduction
D02MVF    ODEs, IVP, DASSL method, setup for D02M–N routines
D02MZF    ODEs, IVP, interpolation for D02M–N routines, natural interpolant
D02NBF    Explicit ODEs, stiff IVP, full Jacobian (comprehensive)
D02NCF    Explicit ODEs, stiff IVP, banded Jacobian (comprehensive)
D02NDF    Explicit ODEs, stiff IVP, sparse Jacobian (comprehensive)
D02NGF    Implicit/algebraic ODEs, stiff IVP, full Jacobian (comprehensive)
D02NHF    Implicit/algebraic ODEs, stiff IVP, banded Jacobian (comprehensive)
D02NJF    Implicit/algebraic ODEs, stiff IVP, sparse Jacobian (comprehensive)
D02NMF    Explicit ODEs, stiff IVP (reverse communication, comprehensive)
D02NNF    Implicit/algebraic ODEs, stiff IVP (reverse communication, comprehensive)
D02NRF    ODEs, IVP, for use with D02M–N routines, sparse Jacobian, enquiry routine
D02NSF    ODEs, IVP, for use with D02M–N routines, full Jacobian, linear algebra set up
D02NTF    ODEs, IVP, for use with D02M–N routines, banded Jacobian, linear algebra set up
D02NUF    ODEs, IVP, for use with D02M–N routines, sparse Jacobian, linear algebra set up
D02NVF    ODEs, IVP, BDF method, setup for D02M–N routines
D02NWF    ODEs, IVP, Blend method, setup for D02M–N routines
D02NXF    ODEs, IVP, sparse Jacobian, linear algebra diagnostics, for use with D02M–N routines
D02NYF    ODEs, IVP, integrator diagnostics, for use with D02M–N routines
D02NZF    ODEs, IVP, setup for continuation calls to integrator, for use with D02M–N routines
D02PCF    ODEs, IVP, Runge–Kutta method, integration over range with output
D02PDF    ODEs, IVP, Runge–Kutta method, integration over one step
D02PVF    ODEs, IVP, setup for D02PCF and D02PDF
D02PWF    ODEs, IVP, resets end of range for D02PDF
D02PXF    ODEs, IVP, interpolation for D02PDF
D02PYF    ODEs, IVP, integration diagnostics for D02PCF and D02PDF
D02PZF    ODEs, IVP, error assessment diagnostics for D02PCF and D02PDF
D02QFF    ODEs, IVP, Adams method with root-finding (forward communication, comprehensive)
D02QGF    ODEs, IVP, Adams method with root-finding (reverse communication, comprehensive)
D02QWF    ODEs, IVP, setup for D02QFF and D02QGF
D02QXF    ODEs, IVP, diagnostics for D02QFF and D02QGF
D02QYF    ODEs, IVP, root-finding diagnostics for D02QFF and D02QGF
D02QZF    ODEs, IVP, interpolation for D02QFF or D02QGF
D02RAF    ODEs, general nonlinear boundary value problem, finite difference technique with deferred correction, continuation facility
D02SAF    ODEs, boundary value problem, shooting and matching technique, subject to extra algebraic equations, general parameters to be determined
D02TGF    nth-order linear ODEs, boundary value problem, collocation and least-squares
D02TKF    ODEs, general nonlinear boundary value problem, collocation technique
D02TVF    ODEs, general nonlinear boundary value problem, setup for D02TKF
D02TXF    ODEs, general nonlinear boundary value problem, continuation facility for D02TKF
D02TYF    ODEs, general nonlinear boundary value problem, interpolation for D02TKF
D02TZF    ODEs, general nonlinear boundary value problem, diagnostics for D02TKF
D02XJF    ODEs, IVP, interpolation for D02M–N routines, natural interpolant
D02XKF    ODEs, IVP, interpolation for D02M–N routines, C1 interpolant
D02ZAF    ODEs, IVP, weighted norm of local error estimate for D02M–N routines

D03:  Partial Differential Equations

Chapter Introduction
D03EAF    Elliptic PDE, Laplace's equation, two-dimensional arbitrary domain
D03EBF    Elliptic PDE, solution of finite difference equations by SIP, five-point two-dimensional molecule, iterate to convergence
D03ECF    Elliptic PDE, solution of finite difference equations by SIP for seven-point three-dimensional molecule, iterate to convergence
D03EDF    Elliptic PDE, solution of finite difference equations by a multigrid technique
D03EEF    Discretize a second-order elliptic PDE on a rectangle
D03FAF    Elliptic PDE, Helmholtz equation, three-dimensional Cartesian co-ordinates
D03MAF    Triangulation of plane region
D03NCF    Finite difference solution of the Black–Scholes equations
D03NDF    Analytic solution of the Black–Scholes equations
D03NEF    Compute average values for D03NDF
D03PCF    General system of parabolic PDEs, method of lines, finite differences, one space variable
D03PDF    General system of parabolic PDEs, method of lines, Chebyshev C0 collocation, one space variable
D03PEF    General system of first-order PDEs, method of lines, Keller box discretisation, one space variable
D03PFF    General system of convection-diffusion PDEs with source terms in conservative form, method of lines, upwind scheme using numerical flux function based on Riemann solver, one space variable
D03PHF    General system of parabolic PDEs, coupled DAEs, method of lines, finite differences, one space variable
D03PJF    General system of parabolic PDEs, coupled DAEs, method of lines, Chebyshev C0 collocation, one space variable
D03PKF    General system of first-order PDEs, coupled DAEs, method of lines, Keller box discretisation, one space variable
D03PLF    General system of convection-diffusion PDEs with source terms in conservative form, coupled DAEs, method of lines, upwind scheme using numerical flux function based on Riemann solver, one space variable
D03PPF    General system of parabolic PDEs, coupled DAEs, method of lines, finite differences, remeshing, one space variable
D03PRF    General system of first-order PDEs, coupled DAEs, method of lines, Keller box discretisation, remeshing, one space variable
D03PSF    General system of convection-diffusion PDEs with source terms in conservative form, coupled DAEs, method of lines, upwind scheme using numerical flux function based on Riemann solver, remeshing, one space variable
D03PUF    Roe's approximate Riemann solver for Euler equations in conservative form, for use with D03PFF, D03PLF and D03PSF
D03PVF    Osher's approximate Riemann solver for Euler equations in conservative form, for use with D03PFF, D03PLF and D03PSF
D03PWF    Modified HLL Riemann solver for Euler equations in conservative form, for use with D03PFF, D03PLF and D03PSF
D03PXF    Exact Riemann Solver for Euler equations in conservative form, for use with D03PFF, D03PLF and D03PSF
D03PYF    PDEs, spatial interpolation with D03PDF or D03PJF
D03PZF    PDEs, spatial interpolation with D03PCF, D03PEF, D03PFF, D03PHF, D03PKF, D03PLF, D03PPF, D03PRF or D03PSF
D03RAF    General system of second-order PDEs, method of lines, finite differences, remeshing, two space variables, rectangular region
D03RBF    General system of second-order PDEs, method of lines, finite differences, remeshing, two space variables, rectilinear region
D03RYF    Check initial grid data in D03RBF
D03RZF    Extract grid data from D03RBF
D03UAF    Elliptic PDE, solution of finite difference equations by SIP, five-point two-dimensional molecule, one iteration
D03UBF    Elliptic PDE, solution of finite difference equations by SIP, seven-point three-dimensional molecule, one iteration

D04:  Numerical Differentiation

Chapter Introduction
D04AAF    Numerical differentiation, derivatives up to order 14, function of one real variable

D05:  Integral Equations

Chapter Introduction
D05AAF    Linear non-singular Fredholm integral equation, second kind, split kernel
D05ABF    Linear non-singular Fredholm integral equation, second kind, smooth kernel
D05BAF    Nonlinear Volterra convolution equation, second kind
D05BDF    Nonlinear convolution Volterra–Abel equation, second kind, weakly singular
D05BEF    Nonlinear convolution Volterra–Abel equation, first kind, weakly singular
D05BWF    Generate weights for use in solving Volterra equations
D05BYF    Generate weights for use in solving weakly singular Abel-type equations

D06:  Mesh Generation

Chapter Introduction
D06AAF    Generates a two-dimensional mesh using a simple incremental method
D06ABF    Generates a two-dimensional mesh using a Delaunay–Voronoi process
D06ACF    Generates a two-dimensional mesh using an Advancing-front method
D06BAF    Generates a boundary mesh
D06CAF    Uses a barycentering technique to smooth a given mesh
D06CBF    Generates a sparsity pattern of a Finite Element matrix associated with a given mesh
D06CCF    Renumbers a given mesh using Gibbs method
D06DAF    Generates a mesh resulting from an affine transformation of a given mesh
D06DBF    Joins together two given adjacent (possibly overlapping) meshes

E01:  Interpolation

Chapter Introduction
E01AAF    Interpolated values, Aitken's technique, unequally spaced data, one variable
E01ABF    Interpolated values, Everett's formula, equally spaced data, one variable
E01AEF    Interpolating functions, polynomial interpolant, data may include derivative values, one variable
E01BAF    Interpolating functions, cubic spline interpolant, one variable
E01BEF    Interpolating functions, monotonicity-preserving, piecewise cubic Hermite, one variable
E01BFF    Interpolated values, interpolant computed by E01BEF, function only, one variable
E01BGF    Interpolated values, interpolant computed by E01BEF, function and first derivative, one variable
E01BHF    Interpolated values, interpolant computed by E01BEF, definite integral, one variable
E01DAF    Interpolating functions, fitting bicubic spline, data on rectangular grid
E01RAF    Interpolating functions, rational interpolant, one variable
E01RBF    Interpolated values, evaluate rational interpolant computed by E01RAF, one variable
E01SAF    Interpolating functions, method of Renka and Cline, two variables
E01SBF    Interpolated values, evaluate interpolant computed by E01SAF, two variables
E01SGF    Interpolating functions, modified Shepard's method, two variables
E01SHF    Interpolated values, evaluate interpolant computed by E01SGF, function and first derivatives, two variables
E01TGF    Interpolating functions, modified Shepard's method, three variables
E01THF    Interpolated values, evaluate interpolant computed by E01TGF, function and first derivatives, three variables

E02:  Curve and Surface Fitting

Chapter Introduction
E02ACF    Minimax curve fit by polynomials
E02ADF    Least-squares curve fit, by polynomials, arbitrary data points
E02AEF    Evaluation of fitted polynomial in one variable from Chebyshev series form (simplified parameter list)
E02AFF    Least-squares polynomial