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

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9
votes
1answer
162 views

Comparing exact expressions for equality — is it really OK if I get wrong answer?

Bug introduced in 7.0 or earlier and fixed in 10.2.0 I found an unexpected behavior (that I think of as a bug) in evaluation of the equality operator applied to mathematical functions with exact ...
9
votes
0answers
657 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 ...
8
votes
2answers
700 views

Finding differences between Pi with varying number of decimals

I have the following code In[32]:= N[Pi, 2] Out[32]= 3.1 In[33]:= N[Pi, 1] Out[33]= 3. In[34]:= N[Pi, 2] - N[Pi, 1] Out[34]= 0.*10^-1 Why can't Mathematica ...
8
votes
4answers
1k 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
1answer
919 views

Handling failed FindRoot calls

I want to handle FindRoot calls which did not converge (e.g "thrown" error message FindRoot::cvmit) ...
8
votes
1answer
238 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
308 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. ...
8
votes
2answers
554 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 ...
8
votes
2answers
780 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
2answers
418 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
1answer
353 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
424 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
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
624 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
169 views

Exp of big negative numbers [duplicate]

I noticed that Exp have a strange behaviour with big negative numbers ...
7
votes
4answers
520 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
3answers
323 views
7
votes
2answers
163 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
3answers
451 views

Implement the Bisection algorithm elegantly and easily

Description: Rencently, I have finished my course Numerical Analysis, so I'd like to implement many algorithm that I have learned from that course.By this practice, I hope that I can improve my ...
7
votes
1answer
2k 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
270 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
139 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 ...
7
votes
1answer
192 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
616 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
votes
1answer
518 views
7
votes
1answer
102 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
820 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 ...
7
votes
0answers
207 views

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

Bug introduced in 7.0 or earlier and fixed in 9.0 I encounter a problem (Mathematica 7) similar to Strategies to avoid LessEqual::nord in NMinimize? but the advised strategies don't work for me. ...
6
votes
3answers
491 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
1answer
189 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 ...
6
votes
2answers
314 views

A problem about fixed point iteration theory

Description Recently, I have been learning a couse called "Numerical Analysis". The fixed point iteration theory was introducted to solve the ...
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
302 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
2answers
162 views

Round vs. Floor vs. Ceiling for non-integers non-orders-of-magnitude

I understand that Round give the nearest even integer for cases where the number is between two integers, i.e. Round[2.5] = 2 ...
6
votes
1answer
265 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
3answers
276 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
396 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
372 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
408 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 ...
6
votes
1answer
173 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
235 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
300 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
62 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: ...
5
votes
4answers
389 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
2answers
115 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
1answer
511 views

How to solve fluid flow problem based on Navier-Stokes equations?

Does anyone know or can provide any examples how fluid flow problem can be formulated and solved in Wolfram Language? Simplest cases of 1D or 2D flows based on Navier-Stokes equations or even their ...
5
votes
3answers
184 views

Finding the conditions for degenerate solutions to a cubic equation

I have a cubic equation (corresponding to the band structure of a physical system) given by w in the code below. ...
5
votes
2answers
108 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 ...