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

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8
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1answer
346 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
1k 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
415 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
604 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
167 views

Exp of big negative numbers [duplicate]

I noticed that Exp have a strange behaviour with big negative numbers ...
7
votes
4answers
502 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
4answers
252 views

Function for a series of joined slopes

I need a function for a series of joined slopes and my solution feels a bit kludgy. Is there a better way? A list of pairs of transition points and slopes: ...
7
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3answers
308 views
7
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2answers
161 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
2answers
252 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: ...
7
votes
1answer
183 views

Fractal dimension of a large networked molecular system

I am trying to determine the fractal dimension of this complex biomolecule (figure attached). Any clues as to how this can be done. In trying to determine this quantity, I wonder how its ...
7
votes
2answers
604 views

How to apply restrictions to the “integrated” variable, when using NDSolve?

I have to integrate an energy along a path. I know the energy at the "beginning" of the path (energy[0]), and I can determine the energy change (gain and loss) ...
7
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1answer
467 views
7
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1answer
100 views

Need a generalization of RootApproximant to recognize linear combinations over algebraic numbers

RootApproximant does a very good job when I need to recognize an algebraic number and when enough of its digits are known (or even when an unlimited number of ...
7
votes
1answer
768 views

Using Mathematica to help to determine the consistency of and numerically solve systems of non-linear equations

The formal problem The question I am about to ask is applicable to many scientific and engineering problems. In short, I am bout to ask for pointers and practical advice for Mathematica beginners who ...
6
votes
3answers
467 views

RK4 Gravity Simulator

I have the following RK4 solver which splits the two 2nd order ODEs, used to calculate x and y positions under the influence of a gravitating body where $$x''(t)=\frac{G m ...
6
votes
2answers
2k views

how to solve ODE with boundary at infinity

y''[x]-x y[x]==0 y[0]==AiryAi[0], y[infinity]==0 the analytic solution to this ODE is the Airy function y[x]=AiryAi[x] if I ...
6
votes
3answers
286 views

Finding the square root of a squared number?

Taking the square root of the square of a number Variable set to a real value I'm wondering why these examples a = -4.3; Sqrt@a² Sqrt@(a^2) Sqrt[a^2] Sqrt[a²] ...
6
votes
3answers
243 views

Numerically integrating a list-valued function [duplicate]

I want to NIntegrate a List valued function foo[x] which is only defined for numerical ...
6
votes
2answers
382 views

No builtin function for bitwise rotation?

There appears to be no builtin Mathematica function for bitwise rotation. Is that true? I suppose I can write my function: ...
6
votes
1answer
233 views

How trustworthy is NMaximize?

Suppose I solve a constrained optimisation problem using NMaximize. How confident can I be of the accuracy of the result? For concreteness, suppose that F,G are ...
6
votes
1answer
120 views

Numerical Integration different in Mathematica version 9 and 10 with same options

I have noted that the same function with the same settings gives me different results in Mathematica version 9 and 10. This involves integrating numerically interpolating functions and so on. Here a ...
6
votes
1answer
361 views

Optimizing Monte Carlo simulation of a Pred-Prey model

My assignment and code As part of an assignment for one of my classes, I'm trying to run a "massive" Monte Carlo simulation in Parallel on the follow model: ...
6
votes
1answer
170 views

Numerical error in Mathieu functions

Consider the MathieuCharacteristicA function, which is a piecewise function according to the documentation. The discontinuity happens at integer number. ...
6
votes
1answer
227 views

Iteration process involving several functions

I would like to carry out a following iteration process: Apply function f1[a_,b_,c_,d_] to a starting list l1={a1,b1,c1,d1}, ...
6
votes
1answer
294 views

Numerical problems with calculation of function

I have a problem with a calculation which I try to do with Mathematica (8.0.1). I have the following function which describes a cone (with half opening angle ...
6
votes
1answer
2k views

Mutual Information involving two matrix states

I basically retrieved the following technique of evaluating the mutual information involving two matrices from this site at http://bmia.bmt.tue.nl/People/BRomeny/Courses/8C080/default.htm The ...
6
votes
0answers
55 views

Negative accuracy numerics ( 0``-128 notation )

What does it mean to have a negative accuracy number? I understand 0``128 to mean "the number zero to 128 decimal points". Mathematica corroborates this: ...
6
votes
0answers
184 views

Mathematica 7: “LessEqual::nord:” error when using NMinimize on a real function

I encounter a problem (Mathematica 7) similar to Strategies to avoid LessEqual::nord in NMinimize? but the advised strategies don't work for me. Also, I get different results with different ...
5
votes
4answers
380 views

Display a number in Mathematica 9 in periodic form

I want to display a rational number in Mathematica in periodic style. PeriodicForm isn't working anymore. It worked in Mathematica 5 and now I'm using Mathematica ...
5
votes
4answers
2k views

Numerical Differentiation using 1500 data points

I have a set of 1500 data points (which are some energy eigenvalues) corresponding to a parameter H0 (which represents magnetic field. H0 values are equispaced going from $-3.0$ to $3.0$ in steps of ...
5
votes
1answer
180 views

Why does taking advantage of Listable change the results of a numerical computation slightly?

I have two variables: t0, and teta0. The first is computed using several nested sums, the second is computed taking advantage to ...
5
votes
2answers
102 views

A problem with Compile and Map

There is a weird behavior of Compile that I do not understand. Consider the following example: ...
5
votes
2answers
102 views

How to speed up Min of DateObjects?

I'm in version 10.0.1 using a Dataset to do some plots and things. For one of the plots I need to get the minimum date of a some filtered set of the ...
5
votes
1answer
102 views

Changing the definition of N: unexpected $RecursionLimit::reclim error

I have some objects represented as follows: Object[data, param] data is a list of numbers, ...
5
votes
1answer
361 views

Is there no documentation for Method in Eigensystem?

There does not appear to be any documentation on how to use Method in Eigensystem, or at least not in Version 9.0.1 of ...
5
votes
1answer
253 views

Accurately evaluating the hypergeometric function

As part of another problem, I am working to evaluate hypergeometric functions such as Hypergeometric2F1[1, 1, n, -1] for large $n$. I am hoping to obtain at ...
5
votes
1answer
1k views

Symbolic integration in the complex plane

Context While answering this question, I defined (symbolic and numerical) path integrations as follows ...
5
votes
1answer
931 views

Mathematica NDSolve and 'Compile'?

Since the consensus is usually that NDSolve speeds fares badly against compiled code such as c++ ODE solvers using GSL say, is it possible to make up for this lag ...
5
votes
3answers
949 views

Solution for equation system with piece-wise defined functions

As I could swear this worked just yesterday, I am probably just doing something stupid here and I am sorry to bother you :) I am trying to find the point where a curve crosses a line. In this case, ...
5
votes
1answer
83 views

Why is NHoldFirst not propagated to symbolic derivatives?

I encountered a nasty problem that N cannot evaluate expressions containing a symbolic Derivative of a multi-parameter function ...
5
votes
2answers
878 views

Can the CholeskyDecomposition function in Mathematica be made to work on non-symmetric matrices?

The CholeskyDecomposition[m] function in Mathematica requires a symmetric and positive definite matrix m. For instance, the ...
5
votes
1answer
866 views

How can I get Mathematica to allow me to apply FindRoot to an expression that contains NIntegrate?

I am trying to run the following command in Mathematica: FindRoot[NIntegrate[D[f[x], x] / Sqrt[1 - x^2], {x, 0, 1}] - d, {a, 245}] As you might expect, a is ...
5
votes
1answer
112 views

Determining the range of parameters that yield real values for a certain NIntegrate form

I have specified just one set of $s$ and $g$ values that yields a real value for the NIntegrate below. It is possible that some $s,g$ combination can give rise to ...
5
votes
3answers
341 views

Numerical evaluation of a sum

I am trying to compute numerically NSum[(-1)^n/n^3, {n, 1, Infinity}]. Of course, using first Sum would work here, but often ...
5
votes
1answer
507 views

p-iteration algorithm to solve Lambert's problem for interplanetary trajectories

I've been reading up on using the p-iteration method to solve Lambert's problem for choosing the correct interplanetary trajectory between two planets given the ...
5
votes
1answer
474 views

Tridiagonal symmetric matrix eigenvalue using bisection

I know that Eigenvalues is already quite well implemented in Mathematica, nor am I foolishly trying to improve on it. In order to improve my programming skills, I ...
5
votes
1answer
286 views

FindMaxValue specifics

I'm using FindMaxValue to study the distribution of maxima of Abs[RiemannSiegelZ[t]] between consecutive values of ...
5
votes
1answer
75 views

Does Mathematica have an equivalent of C's nextafter?

In C (and many other programming languages), there is a function double nextafter(double x, double y) which takes two (IEEE 754) floating-point numbers and ...