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30 Chapter 1. Preliminaries Roundoff error is a characteristic of computer hardware. There is another, different, kind of error that is a characteristic of the program or algorithm used, independent of the hardware on which the program is executed. Many numerical algorithms compute “discrete” approximations to some desired “continuous” quantity. For example, an integral is evaluated numerically by computing a function at a discrete set of points, rather than at “every” point. Or, a function may be evaluated by summing a finite number of leading terms in its infinite series, rather than all infinity terms. In cases like this, there is an adjustable parameter, e.g., the number of points or of terms, such that the “true” answer is obtained only when that parameter goes to infinity. Any practical calculation is done with a finite, but sufficiently large, choice of that parameter. The discrepancy between the true answer and the answer obtained in a practical calculation is called the truncation error. Truncation error would persist even on a hypothetical, “perfect” computer that had an infinitely accurate representation and no roundoff error. As a general rule there is not much that a programmer can do about roundoff error, other than to choose algorithms that do not magnify it unnecessarily (see discussion of “stability” below). Truncation error, on the other hand, is entirely under the programmer’s control. In fact, it is only a slight exaggeration to say that clever minimization of truncation error is practically the entire content of the field of numerical analysis! Most of the time, truncation error and roundoff error do not strongly interact with one another. A calculation can be imagined as having, first, the truncation error that it would have if run on an infinite-precision computer, “plus” the roundoff error associated with the number of operations performed. Sometimes, however, an otherwise attractive method can be unstable. This means that any roundoff error that becomes “mixed into” the calculation at an early stage is successively magnified until it comes to swamp the true answer. An unstable method would be useful on a hypothetical, perfect computer; but in this imperfect world it is necessary for us to require that algorithms be stable — or if unstable that we use them with great caution. Here is a simple, if somewhat artificial, example of an unstable algorithm: Suppose that it is desired to calculate all integer powers of the so-called “Golden Mean,” the number given by √ 5 − 1 φ ≡ ≈ 0.61803398 (1.3.3) 2 It turns out (you can easily verify) that the powers φ n satisfy a simple recursion relation, φ n+1 = φ n−1 − φ n (1.3.4) Thus, knowing the first two values φ0 =1and φ1 =0.61803398, we can successively apply (1.3.4) performing only a single subtraction, rather than a slower multiplication by φ, at each stage. Unfortunately, the recurrence (1.3.4) also has another solution, namely the value − 1 2 (√5+1). Since the recurrence is linear, and since this undesired solution has magnitude greater than unity, any small admixture of it introduced by roundoff errors will grow exponentially. On a typical machine with 32-bit wordlength, (1.3.4) starts 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 Numerical 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 Numerical 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).
1.3 Error, Accuracy, and Stability 31 to give completely wrong answers by about n =16, at which point φ n is down to only 10 −4 . The recurrence (1.3.4) is unstable, and cannot be used for the purpose stated. We will encounter the question of stability in many more sophisticated guises, later in this book. CITED REFERENCES AND FURTHER READING: Stoer, J., and Bulirsch, R. 1980, Introduction to Numerical Analysis (New York: Springer-Verlag), Chapter 1. Kahaner, D., Moler, C., and Nash, S. 1989, Numerical Methods and Software (Englewood Cliffs, NJ: Prentice Hall), Chapter 2. Johnson, L.W., and Riess, R.D. 1982, Numerical Analysis, 2nd ed. (Reading, MA: Addison- Wesley), §1.3. Wilkinson, J.H. 1964, Rounding Errors in Algebraic Processes (Englewood Cliffs, NJ: Prentice- Hall). 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 Numerical 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 Numerical 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
Page 3 and 4: Contents Preface to the Second Edit
Page 5 and 6: Contents vii 7.2 Transformation Met
Page 7 and 8: Contents ix 15.6 Confidence Limits
Page 9 and 10: Preface to the Second Edition Our a
Page 11 and 12: Preface to the Second Edition xiii
Page 13 and 14: Preface to the First Edition xv lin
Page 15 and 16: Types of License Offered License In
Page 17 and 18: Computer Programs by Chapter and Se
Page 25 and 26: Chapter 1. Preliminaries 1.0 Introd
Page 27 and 28: 1.0 Introduction 3 Tested Machines
Page 29 and 30: 1.1 Program Organization and Contro
Page 33 and 34: true 1.1 Program Organization and C
Page 39 and 40: } 1.2 Some C Conventions for Scient
Page 41 and 42: 1.2 Some C Conventions for Scientif
Page 45 and 46: (a) **m (b) **m 1.2 Some C Conventi
Page 53: = 0 3 = 0 = 0 = 0 = 0 = 0 1 ⁄ 2 1
Page 57 and 58: 2.0 Introduction 33 Accumulated rou
Page 59 and 60: 2.0 Introduction 35 between singula
Page 61 and 62: 2.1 Gauss-Jordan Elimination 37 Eli
Page 63 and 64: 2.1 Gauss-Jordan Elimination 39 pre
Page 65 and 66: 2.2 Gaussian Elimination with Backs
Page 67 and 68: 2.3 LU Decomposition and Its Applic
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Page 79 and 80: δx 2.5 Iterative Improvement of a
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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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} 7.7 Quasi- (that is, Sub-) Random
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7.8 Adaptive and Recursive Monte Ca
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} } 7.8 Adaptive and Recursive Mont
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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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a 4 a 2 8.3 Heapsort 337 a 5 a 1 a
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original array 1 2 3 4 5 6 14 8 32
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8.5 Selecting the Mth Largest 341 w
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8.5 Selecting the Mth Largest 343 r
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} } } } 8.6 Determination of Equiva
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Chapter 9. Root Finding and Nonline
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9.0 Introduction 349 good first gue
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(a) (b) (c) (d) 9.1 Bracketing and
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Bisection Method 9.1 Bracketing and
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9.2 Secant Method, False Position M
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} 9.2 Secant Method, False Position
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} 9.3 Van Wijngaarden-Dekker-Brent
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9.3 Van Wijngaarden-Dekker-Brent Me
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9.4 Newton-Raphson Method Using Der
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9.4 Newton-Raphson Method Using Der
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} 9.4 Newton-Raphson Method Using D
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9.5 Roots of Polynomials 9.5 Roots
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9.5 Roots of Polynomials 371 tentat
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9.5 Roots of Polynomials 373 The me
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Eigenvalue Methods 9.5 Roots of Pol
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9.5 Roots of Polynomials 377 of goi
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9.6 Newton-Raphson Method for Nonli
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9.6 Newton-Raphson Method for Nonli
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9.7 Globally Convergent Methods for
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X1 A B C 10.0 Introduction 395 D Fi
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10.1 Golden Section Search in One D
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10.1 Golden Section Search in One D
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} } 10.1 Golden Section Search in O
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10.2 Parabolic Interpolation and Br
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} 10.3 One-Dimensional Search with
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10.3 One-Dimensional Search with Fi
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(a) (b) (c) (d) 10.4 Downhill Simpl
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10.4 Downhill Simplex Method in Mul
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10.5 Direction Set (Powell’s) Met
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(a) 10.6 Conjugate Gradient Methods
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10.6 Conjugate Gradient Methods in
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} 10.7 Variable Metric Methods in M
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10.7 Variable Metric Methods in Mul
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} 10.7 Variable Metric Methods in M
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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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11.2 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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11.5 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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⏐h(t)⏐ 2 (a) Ph( f ) (one-sided
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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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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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(a) (b) (c) +1 0 −1 +1 0 −1 +1
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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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12.5 Fourier Transforms of Real Dat
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12.6 External Storage or Memory-Loc
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} } 12.6 External Storage or Memory
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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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13.3 Optimal (Wiener) Filtering wit
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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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(a) (b) 13.5 Digital Filtering in t
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13.6 Linear Prediction and Linear P
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} 13.6 Linear Prediction and Linear
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13.7 Maximum Entropy (All Poles) Me
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13.8 Spectral Analysis of Unevenly
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} 13.8 Spectral Analysis of Unevenl
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} 13.8 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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} nprev=nnew; } free_vector(wksp,1,
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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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14.1 Moments of a Distribution: Mea
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14.2 Do Two Distributions Have the
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14.3 Are Two Distributions Differen
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1. male 2. female . 14.4 Contingenc
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14.4 Contingency Table Analysis of
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14.5 Linear Correlation 637 two dis
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14.6 Nonparametric or Rank Correlat
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} } 14.7 Do Two-Dimensional Distrib
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14.7 Do Two-Dimensional Distributio
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14.8 Savitzky-Golay Smoothing Filte
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8 6 4 2 0 8 6 4 2 0 8 6 4 2 0 befor
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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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15.3 Straight-Line Data with Errors
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15.4 General Linear Least Squares 6
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} 15.4 General Linear Least Squares
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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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16.4 Richardson Extrapolation and t
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16.5 Second-Order Conservative Equa
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y 16.6 Stiff Sets of Equations 735
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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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16.6 Stiff Sets of Equations 745 Se
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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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