scientific-computing

Practices for programming in a scientific environment?

Background Last year, I did an internship in a physics research group at a university. In this group, we mostly used LabVIEW to write programs for controlling our setups, doing data acquisition and analyzing our data. For the first two purposes, that works quite OK, but for data analysis, it's a real pain. On top of that, everyone was m...

Open source alternative to MATLAB's fmincon function?

Is there an open-source alternative to MATLAB's fmincon function for constrained linear optimization? I'm rewriting a MATLAB program to use Python / NumPy / SciPy and this is the only function I haven't found an equivalent to. A NumPy-based solution would be ideal, but any language will do. ...

Managed language for scientific computing software

Scientific computing is algorithm intensive and can also be data intensive. It often needs to use a lot of memory to run analysis and release it before continuing with the next. Sometime it also uses memory pool to recycle memory for each analysis. Managed language is interesting here because it can allow the developer to concentrate on ...

Interdisciplinary Algorithm Construction with Non-developers

Yeah, I know the title is a mouthful... What I mean is to say is how do you communicate with a subject matter expert who needs a theory coded and tested? For example, weather simulation is a collaboration between meteorologists, computer scientists, and software engineers. The computer scientists and software engineers generally speak...

If I wanted to work using dates and time going millions of years into the past/future how would I do it?

If I wanted to work using dates and time going millions of years into the past/future how would I do it in C/C++/C#? For example say I was working on an algorithm to see if a comet was going to hit the earth? Are there commercial or open source libraries that do this? Most DateTime values only work for a few years. Unixes will run out...

Scientific libraries for Lua?

Are there any scientific packages for Lua comparable to Scipy? Thanks for your time and help :) ...

Looking for ODE integrator/solver with a relaxed attitude to derivative precision

I have a system of (first order) ODEs with fairly expensive to compute derivatives. However, the derivatives can be computed considerably cheaper to within given error bounds, either because the derivatives are computed from a convergent series and bounds can be placed on the maximum contribution from dropped terms, or through use of pr...

Solving nonlinear equations numerically

Hello, I need to solve nonlinear minimization (least residual squares of N unknowns) problems in my Java program. The usual way to solve these is the Levenberg-Marquardt algorithm. I have a couple of questions Does anybody have experience on the different LM implementations available? There exist slightly different flavors of LM, and ...

Plotting with C#

C# seems to show some promise for scientific computing, but I found very little about one plotting 2D graphs, which is very important both for science student and scientists. Is there a reliable, free, way to create publication quality 2D plot with C# ? And the capacity to save to several formats (png, eps, ...). Something similar to Py...

How can DVCS help scientific programming?

I'm doing some preliminary work in investigating how DVCS (the likes of Git, Hg, Bazar) can help in the process of scientific programming, especially for graduate students. I think I'm in quite a good position for this since I've been programming for quite a few years and is currently starting a Masters program in a natural science. The ...

Scientific Plotting in Python

I have a large data set of tuples containing (time of event, latitude, longitude) that I need to visualize. I was hoping to generate a 'movie'-like xy-plot, but was wondering if anyone has a better idea or if there is an easy way to do this in Python? Thanks in advance for the help, --Leo ...

Scientific math with functional languages?

Are there any serious scientific math libraries made with functional programming languages? From the very nature of functional languages one would think that they are particularly suitable for math, but yet the well-known algorithms seem to be procedural. For instance, the classic Numerical Recipes series is written pretty much in proce...

Scientific Visualization with OpenGL and QT

I am trying to write an OpenGL visualization program for some scientific data using qt. I would like to be able to use my existing program unchanged and simply be able to call the glwidget and tell it to update the data at the end of each time step. However in order to run a qt program it appears you have to use QApplication and then qt...

Interpolation in SciPy: Finding X that produces Y

Is there a better way to find which X gives me the Y I am looking for in SciPy? I just began using SciPy and I am not too familiar with each function. import numpy as np import matplotlib.pyplot as plt from scipy import interpolate x = [70, 80, 90, 100, 110] y = [49.7, 80.6, 122.5, 153.8, 163.0] tck = interpolate.splrep(x,y,s=0) xnew =...

Really Big Numbers and Objective-C

I've been toying around with some Project Euler problems and naturally am running into a lot that require the handling of bigger than long long type numbers. I am committed to using Cocoa and Objective-C (I need to stay sharp for work) but can't find an elegant way (read: library) to handle these really big numbers. I'd love to use GMP...

Using Eval in Python to create class variables

I wrote a class that lets me pass in a list of variable types, variable names, prompts, and default values. The class creates a wxPython panel, which is displayed in a frame that lets the user set the input values before pressing the calculate button and getting the results back as a plot. I add all of the variables to the class using ...

How do I incorporate TDD into my workflow as a scientific programmer / student / researcher?

I'm busy! Most of my time is spent using analytical techniques, or on course work, and when I switch over to programming mode I need to generate code quickly. Since, the Primary Investigator for the lab I'm in doesn't care if I'm using TDD or an abacus as long as I get results fast. I've read "TDD by example" and found it quite helpful....

What is the best functional language for scientific programming

I am coming from C/C++, Python background and I am looking to learn a functional language that (Hopefully) can do Serious Matrix Computation expressive real world modelling database integration concurrency/parallelism Battery (library) included Strong integration with other well tuned library in other language Have a positive future ...

Do scripters have to consider roundoff error?

I'm studying C, and the idea of guard digits and rounding errors came up. Do practitioners of scripting languages (I'm thinking of Python and Perl here) need to worry about this stuff? What if they are doing scientific programming? ...

Design principles for creating a domain-specific scientific library

What are good principles in designing a software library for the use of scientists in a specific discipline? By this I mean areas such as chemistry, physics, materials science, microscopy, bioassays, astronomy, etc. I exclude generic libraries such as SciPy, R, Matlab, JAMA, etc. which cover a range of disciplines or are specifically mat...