Questions on the numerical functions of Mathematica, implementing numerical methods and numerical computing with Mathematica.

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12
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1answer
2k views

Kramers-Kronig in Mathematica

I am trying to calculate the change of the refractive index from the change of the absorption coefficient using the Kramers-Kronig relations, in Mathematica. ...
12
votes
1answer
2k views

What method does NDSolve use for solving PDEs?

What is NDSolve's mode of operation? I use it to solve partial differential equations and never gave it too much thought. Recently, I came across this question. ...
12
votes
2answers
617 views

Is it possible to use the LevenbergMarquardt algorithm for fitting a black-box residual function?

I have a black-box multiargument multiparametric function of the type SRD[dataPoint_List,params_List] which accepts experimental data along with the parameters of ...
12
votes
2answers
295 views

Why do NumberForm and Round apparently use different tie-breaking methods?

When rounding numbers (for example, rounding a real number to the nearest integer), the "round to nearest" rule is usually used. For example, 1.4 is rounded down to 1 and 1.6 is rounded up to 2. ...
12
votes
1answer
887 views

Numerical solution of coupled ODEs with boundary conditions

I have to solve the following set of ODEs and just can't get good results using Mathematica $$ r\frac{d}{dr}\left(\frac{1}{r}\frac{d}{dr}A(r)\right)-\xi^2F(r)^2\left(A(r)-1\right)=0 $$ $$ ...
12
votes
2answers
423 views

Preventing Numerical value from being evaluated

I have searched stackoverflow (and comparable pages) for quite a while now (got redirected from there to this specialized stack), and I surrender. I am trying to evaluate an expression that is small ...
11
votes
3answers
1k views

How do you round numbers so that it affects computation?

I'm trying to make a demonstration of how rounding to different numbers of digits affects things but I can't find a way to round numbers to a specified number of digits. The ...
11
votes
1answer
342 views

Why is MainEvaluate being used when LinearSolve can be compiled?

According to this question LinearSolve can be Compiled. However, CompilePrint shows a MainEvaluate but no-warning is generated. It appears that LinearSolve is not ...
11
votes
1answer
1k views

AccuracyGoal, PrecisionGoal, WorkingPrecision and NDSolve

I'm trying to understand exactly what WorkingPrecision, AccuracyGoal and PrecisionGoal mean ...
10
votes
3answers
3k views

NDSolve with Euler method

I want to solve this equation with NDSolve[] using the Euler method: x'[t] == 0.5*x[t]-0.04*(x[t])^2 with initial condition ...
10
votes
1answer
1k views

Combined numerical minimization and maximization

I want to numerically calculate the maximum of a function defined by the minimization of another function, like the following: ...
10
votes
1answer
881 views

How do I find all the solutions of three simultaneous equations within a given box?

Sometimes, one needs to find all the solutions of three simultaneous nonlinear equations in three unknowns $$\begin{align*}f(x,y,z)&=0\\g(x,y,z)&=0\\h(x,y,z)&=0\end{align*}$$ within a ...
10
votes
2answers
356 views

Determining the default Method used in optimization and root-finding algorithms

Is it possible to extract the Method which is used in functions like NMinimize, FindRoot, ...
10
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1answer
264 views

Converting to machine precision

There are multiple ways to convert an expression to machine precision, for example: ...
9
votes
4answers
400 views

Why is Poisson Random Deviate Generation so slow?

I am generating Poisson deviates for some numerical work. Mathematica 9.0.1 is very slow in generating these random numbers, as can be seen below. ...
9
votes
2answers
422 views

FEM: Nicer Element Shape for Spherical Region

I'm trying to generate a mesh for later use in the Finite Element Method of the DSolve command. It is basically a parallelepiped with a spherical indentation. I'm ...
9
votes
2answers
2k views

How to discretize a nonlinear PDE fast?

I wish to numerically solve the following PDE. Although there are some complete discussions for solving PDEs in tutorial/NDSolvePDE, there is no hint for the nonlinear case by discretization. Thus, I ...
9
votes
3answers
3k views

How can I differentiate Numerically?

Mathematica has two ways to integrate: Integrate and NIntegrate. But what about D? ...
9
votes
1answer
101 views

Apply N only outside a certain function

1 + f[1] // N gives 1. + f[1.] I don't want the argument of f evaluated by N; I ...
9
votes
2answers
3k views

Numerically obtaining the inverse Laplace transform of data

I have been using several Mathematica packages to do numerical inverse Laplace transforms on known (expressible in closed form) expressions, $\tilde{f}(s)$. I am now being confronted with the more ...
9
votes
1answer
1k views

Computation of Hankel Transform using FFT (Fourier)

To address circular symmetric cases of 2D Fourier Transformations the so called Hankel Transform can be applied (for a detailed derivation of the relation between the 2D Fourier transform and the 1D ...
9
votes
1answer
213 views

RandomReal closed on left & open on right?

I have a number of algorithms that depend on uniform random reals in half-open intervals such as $[0,1)$. In particular, I need a (pseudo) random-number generator that produces machine-precision ...
9
votes
2answers
1k views

RootSearch for complex or multiple equations

First the background. I'm trying to solve for the roots of a rather messy complex equation. This is not the exact equation, but it's a decent (simpler) stand in: ...
9
votes
1answer
393 views

ParallelEvaluate for function minimization

Is there a parallelized version of a minimization routine available in Mathematica? The objective function is non-linear and the gradients have to be numerically computed. Every function evaluation ...
9
votes
1answer
489 views

Why can't I change the value of MaxRecursion in NIntegrate when integrating BesselJ?

I am trying to evaluate this integral numerically $$ \int_0^{\infty } J_0(q R) \tanh(q) \, \mathrm{d}q $$ for large values of $R$. This makes the integrand oscillate more quickly and Mathematica ...
9
votes
0answers
546 views

Dual complex integral over implicit path using contour plot

Context I am interested in doing double contour integral over paths which are defined implicitely. For the sake of debugging, let's assume its $$\oint_{\cal C}\oint_{\cal C} \frac{1}{u\, x} d u d x$$ ...
8
votes
4answers
333 views

Numerical instability in cosh and sinh - integral functions [duplicate]

I'm trying to calculate the function: CoshIntegral[x] Sinh[x] - Cosh[x] SinhIntegral[x] Unfortunately Mathematica seems to hit a point (x~20) and things become ...
8
votes
4answers
856 views

Numerical integration of a numeric data available as a nested list

I have some numerical data in the form of a list with the following structure: {...{x,y,z},...} defining a surface z=z(x,y) in a 3D space (x,y,z). The data came from a simulation, and I am ...
8
votes
2answers
3k views

How do you force a decimal output? [duplicate]

I have some very small values such as 2.601519253*10^-8. I'd like to output these values to CSV for another program to work with. I've tried N[value, 50], but Mathematica still insists on producing ...
8
votes
1answer
215 views

SetPrecision within Block

I am reading Mathematica Cookbook, chapter 1. Author gives two examples, with the following explanation You can control precision within a complex calculation (without using ...
8
votes
1answer
1k views

Minimization by Nelder-Mead

Finding a global minimum for this problem (non-linear optimization by the Nelder-Mead downhill simplex method) may not be possible, but by finding local minimum, I am expecting the value of the ...
8
votes
2answers
378 views

Precision differences

I run this sum and get the symbolic answer below : Sum[ (1/(k^2 - k) - 1/k^2), {k, 2, Infinity}] $2 - \frac{\pi^2}{6}$ I look up the sequence on OEIS and ...
8
votes
2answers
694 views

Number of iterations in NSolve

In Excel's solver, one can define how many iterations are to be done, to one's liking. I am wondering if this is possible to do with NSolve in Mathematica? Code ...
8
votes
1answer
321 views

ReplaceAll[] and Limit[] don't give correct results for this expression under extreme variables [duplicate]

Possible Duplicate: Funny behaviour when plotting a polynomial of high degree and large coefficients 1/x^2 + (3 + x)/(6 (1 - Exp[x] + x)) ——This is a ...
8
votes
1answer
349 views

Symbolic Integration along contour: branch cut problem?

Context Following this question on path integrals in the complex plane, having defined again a numerical and symbolic integrator along a path as ...
8
votes
1answer
933 views

Implementation of Incomplete Fermi-Dirac Integral in Mathematica

I'm working on a special algorithm to implement a more accurate effective mass calculation for hole carriers in silicon in Mathematica. This rather involved algorithm uses incomplete Fermi-Dirac ...
8
votes
1answer
392 views

Converting other C++ classes to MTensor in LibraryLink

Hopefully this will be a quick question + a quick answer: Say I have a C++ (or C) code using LibraryLink. I am using a library that defines a specific matrix class, as many numerical libraries ...
8
votes
1answer
555 views

Is there any automatic differentiation package?

I'm wondering if an automatic differentiation package exists for Mathematica. This is what I mean by automatic differentiation.
8
votes
1answer
154 views

Exp of big negative numbers [duplicate]

I noticed that Exp have a strange behaviour with big negative numbers ...
8
votes
0answers
460 views

Numerically solve 2nd order differential equation with singularity

Consider a second order differential equation with a potential that diverges at some generic value in the variable. For example: $$-y^{\prime\prime}(s)+\frac1{\mathrm{cn}{(s\mid k^2)}}y(s)=0$$ where ...
7
votes
4answers
459 views

Distances between points in periodic cube

How can one implement more efficiently/elegantly/memory savvily the following function which returns a matrix of all Euclidian distances between points in 3D within a cube of width ...
7
votes
1answer
690 views

What are the algorithm details of FindRoot?

The Help page of FindRoot says: "by default, FindRoot uses Newton's method (Newton-Raphson) to solve a nonlinear system". But I ...
7
votes
2answers
150 views

Efficient way to obtain values of a function defined by an Integral

Consider the following equation: $$S(q)=\frac{(4 \pi \rho ) \int r (h(r)-1) \sin (q r) \, dr}{q}$$ I want to numerically obtain values for $S(q)$ given that I have data points representing $h(r)$ ...
7
votes
1answer
1k views

Is Abs[z]^2 a bad way to calculate the square modulus of z?

For a numerical quantity z, Abs[z] returns the square root of the sum of the squares of the real and imaginary parts of ...
7
votes
1answer
803 views

Handling failed FindRoot calls

I want to handle FindRoot calls which did not converge (e.g "thrown" error message FindRoot::cvmit) ...
7
votes
2answers
233 views

Water Hammer - Numerically solving system of PDEs

I'm trying to use Mathematica to solve the water hammer effect. ...
7
votes
1answer
260 views

Is there a way to see the result of NIntegrate's symbolic preprocessing?

NIntegrate can do a number of different types of symbolic preprocessing on the integrand before starting the numerical calculations, including changes of variables. ...
7
votes
2answers
434 views

Is there any fast way to solve a quadratic matrix equation in Mathematica approximately?

Let the square nonsingular matrix $M$ is a given convergent matrix. What are the best scalar values for $\alpha$ and $\beta$ (in the real numbers domain), at which the following quadratic matrix ...
7
votes
2answers
218 views

listplot very large numbers

Suppose we have the following function: NN = 150; W[n1_] := NN!/(n1 ! (NN - n1!)) (1/2)^n1 (1/2)^(NN - n1) Then we can Plot or Listplot it: ...