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388 Chapter 9. Root Finding and Nonlinear Sets of Equations } if (temp > test) test=temp; } *check=(test < TOLMIN ? 1 : 0); FREERETURN } test=0.0; Test for convergence on δx. for (i=1;i test) test=temp; } if (test < TOLX) FREERETURN } nrerror("MAXITS exceeded in newt"); #include #include "nrutil.h" #define EPS 1.0e-4 Approximate square root of the machine precision. void fdjac(int n, float x[], float fvec[], float **df, void (*vecfunc)(int, float [], float [])) Computes forward-difference approximation to Jacobian. On input, x[1..n] is the point at which the Jacobian is to be evaluated, fvec[1..n] is the vector of function values at the point, and vecfunc(n,x,f) is a user-supplied routine that returns the vector of functions at x. On output, df[1..n][1..n] is the Jacobian array. { int i,j; float h,temp,*f; } f=vector(1,n); for (j=1;j
9.7 Globally Convergent Methods for Nonlinear Systems of Equations 389 The routine newt assumes that typical values of all components of x and of F are of order unity, and it can fail if this assumption is badly violated. You should rescale the variables by their typical values before invoking newt if this problem occurs. Multidimensional Secant Methods: Broyden’s Method Newton’s method as implemented above is quite powerful, but it still has several disadvantages. One drawback is that the Jacobian matrix is needed. In many problems analytic derivatives are unavailable. If function evaluation is expensive, then the cost of finite-difference determination of the Jacobian can be prohibitive. Just as the quasi-Newton methods to be discussed in §10.7 provide cheap approximations for the Hessian matrix in minimization algorithms, there are quasi-Newton methods that provide cheap approximations to the Jacobian for zero finding. These methods are often called secant methods, since they reduce to the secant method (§9.2) in one dimension (see, e.g., [1]). The best of these methods still seems to be the first one introduced, Broyden’s method [2]. Let us denote the approximate Jacobian by B. Then the ith quasi-Newton step δxi is the solution of Bi · δxi = −Fi (9.7.15) where δxi = xi+1 − xi (cf. equation 9.7.3). The quasi-Newton or secant condition is that Bi+1 satisfy Bi+1 · δxi = δFi (9.7.16) where δFi = Fi+1 − Fi. This is the generalization of the one-dimensional secant approximation to the derivative, δF/δx. However, equation (9.7.16) does not determine Bi+1 uniquely in more than one dimension. Many different auxiliary conditions to pin down Bi+1 have been explored, but the best-performing algorithm in practice results from Broyden’s formula. This formula is based on the idea of getting Bi+1 by making the least change to Bi consistent with the secant equation (9.7.16). Broyden showed that the resulting formula is (δFi − Bi · δxi) ⊗ δxi Bi+1 = Bi + (9.7.17) δxi · δxi You can easily check that Bi+1 satisfies (9.7.16). Early implementations of Broyden’s method used the Sherman-Morrison formula, equation (2.7.2), to invert equation (9.7.17) analytically, i · δFi) ⊗ δxi · B −1 i B −1 i+1 = B −1 i + (δxi − B−1 δxi · B −1 (9.7.18) i · δFi Then instead of solving equation (9.7.3) by e.g., LU decomposition, one determined δxi = −B −1 i · Fi (9.7.19) by matrix multiplication in O(N 2 ) operations. The disadvantage of this method is that it cannot easily be embedded in a globally convergent strategy, for which the gradient of equation (9.7.4) requires B, not B −1 , ∇( 1 2 F · F) � BT · F (9.7.20) Accordingly, we implement the update formula in the form (9.7.17). However, we can still preserve the O(N 2 ) solution of (9.7.3) by using QR decomposition (§2.10) instead of LU decomposition. The reason is that because of the special form of equation (9.7.17), the QR decomposition of Bi can be updated into the QR decomposition of Bi+1 in O(N 2 ) operations (§2.10). All we need is an initial approximation B0 to start the ball rolling. It is often acceptable to start simply with the identity matrix, and then allow O(N) updates to produce a reasonable approximation to the Jacobian. We prefer to spend the first N function evaluations on a finite-difference approximation to initialize B via a call to fdjac. Sample page from NUMERICAL RECIPES IN C: THE ART OF SCIENTIFIC COMPUTING (ISBN 0-521-43108-5) Copyright (C) 1988-1992 by Cambridge University Press. Programs Copyright (C) 1988-1992 by <strong>Numerical</strong> Recipes Software. Permission is granted for internet users to make one paper copy for their own personal use. Further reproduction, or any copying of machinereadable files (including this one) to any server computer, is strictly prohibited. To order <strong>Numerical</strong> Recipes books or CDROMs, visit website http://www.nr.com or call 1-800-872-7423 (North America only), or send email to directcustserv@cambridge.org (outside North America).
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Numerical Recipes in C The Art of S
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Contents Preface to the Second Edit
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Contents vii 7.2 Transformation Met
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Contents ix 15.6 Confidence Limits
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Preface to the Second Edition Our a
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Preface to the Second Edition xiii
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Preface to the First Edition xv lin
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Types of License Offered License In
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Computer Programs by Chapter and Se
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Chapter 1. Preliminaries 1.0 Introd
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1.0 Introduction 3 Tested Machines
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1.1 Program Organization and Contro
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true 1.1 Program Organization and C
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} 1.2 Some C Conventions for Scient
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1.2 Some C Conventions for Scientif
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(a) **m (b) **m 1.2 Some C Conventi
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= 0 3 = 0 = 0 = 0 = 0 = 0 1 ⁄ 2 1
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1.3 Error, Accuracy, and Stability
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2.0 Introduction 33 Accumulated rou
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2.0 Introduction 35 between singula
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2.1 Gauss-Jordan Elimination 37 Eli
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2.1 Gauss-Jordan Elimination 39 pre
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2.2 Gaussian Elimination with Backs
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2.3 LU Decomposition and Its Applic
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a b c d 2.3 LU Decomposition and It
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} 2.3 LU Decomposition and Its Appl
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2.3 LU Decomposition and Its Applic
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2.4 Tridiagonal and Band Diagonal S
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2.4 Tridiagonal and Band Diagonal S
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δx 2.5 Iterative Improvement of a
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2.5 Iterative Improvement of a Solu
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2.6 Singular Value Decomposition 59
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SVD of a Square Matrix 2.6 Singular
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solutions of A ⋅ x = d null space
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} 2.6 Singular Value Decomposition
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2.7 Sparse Linear Systems 2.7 Spars
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2.7 Sparse Linear Systems 73 prescr
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2.7 Sparse Linear Systems 75 Here
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2.7 Sparse Linear Systems 77 Finall
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2.7 Sparse Linear Systems 79 In row
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} 2.7 Sparse Linear Systems 81 jp=i
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2.7 Sparse Linear Systems 83 Matrix
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2.7 Sparse Linear Systems 85 while
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p=dvector(1,n); pp=dvector(1,n); r=
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} 2.7 Sparse Linear Systems 89 void
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2.8 Vandermonde Matrices and Toepli
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2.9 Cholesky Decomposition 97 If yo
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2.10 QR Decomposition 99 The standa
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#include #include "nrutil.h" 2.10
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in terms of which 2.11 Is Matrix In
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Chapter 3. Interpolation and Extrap
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(a) (b) 3.0 Introduction 107 Figure
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3.1 Polynomial Interpolation and Ex
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3.2 Rational Function Interpolation
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3.3 Cubic Spline Interpolation 113
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3.3 Cubic Spline Interpolation 115
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3.4 How to Search an Ordered Table
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} 3.4 How to Search an Ordered Tabl
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#include "nrutil.h" 3.5 Coefficient
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3.6 Interpolation in Two or More Di
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} int j; float *ymtmp; 3.6 Interpol
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3.6 Interpolation in Two or More Di
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Chapter 4. Integration of Functions
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4.1 Classical Formulas for Equally
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#define FUNC(x) ((*func)(x)) 4.2 El
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4.2 Elementary Algorithms 139 trapz
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4.4 Improper Integrals 141 which co
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4.4 Improper Integrals 143 The rout
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4.4 Improper Integrals 145 If you n
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4.5 Gaussian Quadratures and Orthog
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Gauss-Legendre: Gauss-Chebyshev: Ga
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} 4.5 Gaussian Quadratures and Orth
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4.6 Multidimensional Integrals 161
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y 4.6 Multidimensional Integrals 16
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Chapter 5. Evaluation of Functions
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5.1 Series and Their Convergence 16
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5.2 Evaluation of Continued Fractio
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5.2 Evaluation of Continued Fractio
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5.3 Polynomials and Rational Functi
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5.3 Polynomials and Rational Functi
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5.4 Complex Arithmetic 177 Actually
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5.5 Recurrence Relations and Clensh
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5.5 Recurrence Relations and Clensh
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5.6 Quadratic and Cubic Equations 1
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5.6 Quadratic and Cubic Equations 1
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5.7 Numerical Derivatives 187 With
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} 5.7 Numerical Derivatives 189 The
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Chebyshev polynomials 1 .5 0 −.5
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} 5.8 Chebyshev Approximation 193 f
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5.9 Derivatives or Integrals of a C
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5.10 Polynomial Approximation from
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5.11 Economization of Power Series
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5.12 Padé Approximants 201 then R(
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5.12 Padé Approximants 203 cof[2*n
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5.13 Rational Chebyshev Approximati
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5.13 Rational Chebyshev Approximati
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5.14 Evaluation of Functions by Pat
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5.14 Evaluation of Functions by Pat
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6.1 Gamma, Beta, and Related Functi
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6.1 Gamma, Beta, and Related Functi
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incomplete gamma function P(a,x) 1.
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} void nrerror(char error_text[]);
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#include 6.2 Incomplete Gamma Func
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6.3 Exponential Integrals 223 where
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6.3 Exponential Integrals 225 #incl
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6.4 Incomplete Beta Function 227 Th
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6.4 Incomplete Beta Function 229 So
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Bessel functions 1 .5 0 −.5 −1
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} 6.5 Bessel Functions of Integer O
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6.5 Bessel Functions of Integer Ord
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modified Bessel functions 4 3 2 1 6
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6.6 Modified Bessel Functions of In
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6.7 Bessel Functions of Fractional
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} 6.7 Bessel Functions of Fractiona
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6.8 Spherical Harmonics 253 The fir
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6.9 Fresnel Integrals, Cosine and S
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} 6.9 Fresnel Integrals, Cosine and
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} 6.10 Dawson’s Integral 259 } if
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6.11 Elliptic Integrals and Jacobia
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where 6.11 Elliptic Integrals and J
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#define TINY 1.0e-25 #define BIG 4.
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6.11 Elliptic Integrals and Jacobia
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6.12 Hypergeometric Functions 271 C
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#include "complex.h" #define ONE Co
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7.1 Uniform Deviates 275 As for ref
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7.1 Uniform Deviates 277 This corre
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#define IA 16807 #define IM 2147483
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RAN 3 1 7.1 Uniform Deviates 281 iy
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7.1 Uniform Deviates 283 from the w
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7.1 Uniform Deviates 285 Constants
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7.2 Transformation Method: Exponent
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7.2 Transformation Method: Exponent
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first random deviate in 7.3 Rejecti
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} 7.3 Rejection Method: Gamma, Pois
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} 7.3 Rejection Method: Gamma, Pois
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7.4 Generation of Random Bits 297 s
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} } *iseed
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7.5 Random Sequences Based on Data
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} } 7.5 Random Sequences Based on D
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7.6 Simple Monte Carlo Integration
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7.6 Simple Monte Carlo Integration
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7.7 Quasi- (that is, Sub-) Random S
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7.8 Adaptive and Recursive Monte Ca
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} 7.8 Adaptive and Recursive Monte
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Chapter 8. Sorting 8.0 Introduction
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8.1 Straight Insertion and Shell’
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8.2 Quicksort 333 question of the b
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8.2 Quicksort 335 istack=lvector(1,
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10.8 Linear Programming and the Sim
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10.8 Linear Programming and the Sim
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} 10.8 Linear Programming and the S
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10.9 Simulated Annealing Methods 44
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(a) (b) (c) 1 .5 0 1 .5 0 1 .5 0 10
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} } 10.9 Simulated Annealing Method
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} free_ivector(jorder,1,ncity); #in
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Definitions and Basic Facts 11.0 In
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11.0 Introduction 459 In both the d
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11.0 Introduction 461 “Eigenpacka
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11.1 Jacobi Transformations of a Sy
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} } 11.2 Reduction of a Symmetric M
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11.2 Reduction of a Symmetric Matri
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11.3 Eigenvalues and Eigenvectors o
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} } 11.4 Hermitian Matrices 481 for
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11.5 Reduction of a General Matrix
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11.6 The QR Algorithm for Real Hess
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11.7 Eigenvalues or Eigenvectors by
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11.7 Eigenvalues or Eigenvectors by
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and equation (12.0.1) looks like th
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12.1 Fourier Transform of Discretel
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12.1 Fourier Transform of Discretel
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12.2 Fast Fourier Transform (FFT) 5
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Other FFT Algorithms 12.2 Fast Four
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12.3 FFT of Real Functions, Sine an
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12.3 FFT of Real Functions, Sine an
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#include 12.3 FFT of Real Function
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} 12.3 FFT of Real Functions, Sine
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} } } 12.4 FFT in Two or More Dimen
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data [1] Re Im 12.4 FFT in Two or M
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Chapter 13. Fourier and Spectral Ap
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(t) r*s(t) 13.1 Convolution and Dec
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13.1 Convolution and Deconvolution
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13.1 Convolution and Deconvolution
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13.2 Correlation and Autocorrelatio
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log scale 13.4 Power Spectrum Estim
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13.4 Power Spectrum Estimation Usin
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amplitude 1 .8 .6 .4 .2 0 13.4 Powe
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13.5 Digital Filtering in the Time
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IIR (Recursive) Filters 13.5 Digita
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13.8 Spectral Analysis of Unevenly
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} 13.8 Spectral Analysis of Unevenl
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13.9 Computing Fourier Integrals Us
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Cubic order: 13.9 Computing Fourier
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13.9 Computing Fourier Integrals Us
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13.10 Wavelet Transforms 591 The sp
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13.10 Wavelet Transforms 593 p.”
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13.10 Wavelet Transforms 595 comple
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} 13.10 Wavelet Transforms 597 wfil
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.2 0 −.2 .2 0 −.2 DAUB4 e10 + e
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wavelet amplitude 1.5 1 .5 .0001 10
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13.10 Wavelet Transforms 605 Figure
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13.11 Numerical Use of the Sampling
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Chapter 14. Statistical Description
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14.1 Moments of a Distribution: Mea
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14.5 Linear Correlation 637 two dis
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14.8 Savitzky-Golay Smoothing Filte
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15.1 Least Squares as a Maximum Lik
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15.1 Least Squares as a Maximum Lik
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15.2 Fitting Data to a Straight Lin
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15.2 Fitting Data to a Straight Lin
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15.3 Straight-Line Data with Errors
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15.5 Nonlinear Models 681 Lawson, C
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15.5 Nonlinear Models 683 Note that
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15.5 Nonlinear Models 685 pivots, b
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#include "nrutil.h" 15.5 Nonlinear
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15.6 Confidence Limits on Estimated
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actual data set 15.6 Confidence Lim
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15.7 Robust Estimation 699 M� 1 C
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15.7 Robust Estimation 701 where th
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15.7 Robust Estimation 703 algorith
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} *a=aa; *b=bb; *abdev=abdevt/ndata
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Chapter 16. Integration of Ordinary
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16.0 Introduction 709 problem where
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y(x) 16.1 Runge-Kutta Method 711 1
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} 16.1 Runge-Kutta Method 713 yt=ve
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16.2 Adaptive Stepsize Control for
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16.3 Modified Midpoint Method 723 H
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16.6 Stiff Sets of Equations 737 If
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16.6 Stiff Sets of Equations 739 od
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} 16.6 Stiff Sets of Equations 741
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16.6 Stiff Sets of Equations 743 Co
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} 16.7 Multistep, Multivalue, and P
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16.7 Multistep, Multivalue, and Pre
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16.7 Multistep, Multivalue, and Pre
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Chapter 17. Two Point Boundary Valu
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equired boundary value 17.0 Introdu
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17.1 The Shooting Method 17.1 The S
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} 17.1 The Shooting Method 759 floa
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17.2 Shooting to a Fitting Point 76
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17.3 Relaxation Methods 763 depende
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X X X X X X X X X X X X X X X X X X
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17.3 Relaxation Methods 767 Next co
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17.3 Relaxation Methods 769 calcula
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} 17.3 Relaxation Methods 771 for (
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17.4 A Worked Example: Spheroidal H
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} 17.4 A Worked Example: Spheroidal
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17.5 Automated Allocation of Mesh P
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17.6 Handling Internal Boundary Con
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17.6 Handling Internal Boundary Con
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18.0 Introduction 789 is called a F
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18.1 Fredholm Equations of the Seco
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#include "nrutil.h" 18.1 Fredholm E
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18.2 Volterra Equations 795 in §18
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18.3 Integral Equations with Singul
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f (x) 1 .5 0 −.5 0 18.3 Integral
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18.4 Inverse Problems and the Use o
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18.4 Inverse Problems and the Use o
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18.5 Linear Regularization Methods
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18.6 Backus-Gilbert Method 815 nece
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18.6 Backus-Gilbert Method 817 Subs
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18.7 Maximum Entropy Image Restorat
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Chapter 19. Partial Differential Eq
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19.0 Introduction 829 possible stab
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y L ∆ y1 19.0 Introduction 831 A
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19.0 Introduction 833 So-called rap
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19.1 Flux-Conservative Initial Valu
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t or n 19.1 Flux-Conservative Initi
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19.2 Diffusive Initial Value Proble
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19.2 Diffusive Initial Value Proble
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and the heuristic stability criteri
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19.3 Initial Value Problems in Mult
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19.3 Initial Value Problems in Mult
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19.4 Fourier and Cyclic Reduction M
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FACR Method 19.5 Relaxation Methods
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19.5 Relaxation Methods for Boundar
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19.6 Multigrid Methods for Boundary
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S S S E γ = 1 19.6 Multigrid Metho
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} 19.6 Multigrid Methods for Bounda
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#include 19.6 Multigrid Methods fo
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Chapter 20. Less-Numerical Algorith
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20.1 Diagnosing Machine Parameters
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20.1 Diagnosing Machine Parameters
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(a) G(i) (b) MSB 4 3 2 1 0 LSB i MS
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20.3 Cyclic Redundancy and Other Ch
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} 20.4 Huffman Coding and Compressi
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20.4 Huffman Coding and Compression
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} 20.4 Huffman Coding and Compressi
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} } } 20.4 Huffman Coding and Compr
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1.0 0.9 0.8 0.7 0.6 0.5 0.4 0.3 0.2
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20.5 Arithmetic Coding 913 Individu
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20.6 Arithmetic at Arbitrary Precis
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} for (j=n;j>=1;j--) { ireg=u[j]+HI
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#include "nrutil.h" #define RX 256.
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} 20.6 Arithmetic at Arbitrary Prec
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