A collection of related programming functions implementing a set of abstract data types, mathematical functions, or other higher level analysis algorithms so that they may be used, and reused, by other programs.

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5
votes
1answer
90 views

Finding closed equipotential surfaces on a 3D grid

In short, I'm looking for either: (1) Publications or other sources dealing with contour/isosurface finding algorithms, so that I can write my own implementation (and parallelize as best I can), or ...
3
votes
2answers
173 views

Developing finite volume (FVM) code in C . General advice

I need to develop a FVM code in C (The multiscale FVM method for heterogeneous media). I know that: Only uniform rectangular grids will be considered (2d now, later 3d) Sparse systems will be large ...
0
votes
1answer
35 views

Harwell-Boeing format for sparse matrices

I'm dealing with SVDLIBC library. In order to compute singular values I need to specify my matrix in the Harwell-Boeing format. On Internet I have found next example: Dense Text Format: ...
0
votes
1answer
37 views

Which version of FFTW

At the moment, I'm installing the "GADGET-2" application. In its documentation it says "Note that the MPI-capable version 2.x of FFTW is required, the new version 3 lacks MPI capability at this point. ...
2
votes
3answers
92 views

R/C/C++ library for N-dimensional arrays

I'm looking for a library that is either in R or easily wrappable with R, that can do the following things: construct and subset N-dimensional arrays perform operations such as ...
4
votes
1answer
131 views

Using PAPI in PETSc code

I am trying to count the number of cache misses, total cycles, etc. per iteration of a for loop inside MatMult_SeqSBAIJ_2() . ...
4
votes
3answers
206 views

Literature material discussing generic frameworks to solve PDEs

I am trying to gather literature material to study how people propose to implement generic frameworks to solve partial differential equations in C++. Despite my effort to search the web, the only ...
3
votes
3answers
368 views

Can anyone recommend a library in C++ which has the most efficiency in doing sparse matrix operations under Windows system

I have download sparselib++, but it seems that it can't be complied in Windows, only in Unix, I don't know. So can anyone recommend some which can be used in Visual Studio 2010? I want to do a large ...
3
votes
5answers
306 views

FEM library with support of simplex elements

My question can be rephrased as "FEM library like deal.II but for simplex elements". Our scientific group works with very complicated 3D geometries, so usually we prefer tetrahedral meshes for our ...
1
vote
1answer
388 views

software request for solving acoustic wave equation

I am searching some libraries or toolboxes (preferred MATLAB) for solving acoustic wave equation in heterogeneous media with time varying source term, i.e. $$\nabla^2 \psi(\vec{r},t) - ...
5
votes
1answer
91 views

Use Butterworth and Chebychev filters

I need to calculate frequency response, phase response and apply to signals the Butterworth, Chebychev1 and Chebychev2 band-pass filters. I'm developing in C++ with Qt, and I'm looking for algorithms ...
5
votes
3answers
135 views

Where do I find data to start a graph data structure to practice on?

I am interested in learning firsthand about graph data structures but have no data to put into the database. Can anyone recommend a source for a beginner to find graph data? (Preferably a source that ...
6
votes
3answers
1k views

I am looking for a parallel dynamic graph library in C++

Hello scicomp community, I have worked in the area of graph algorithms using frameworks such as NetworkX (Python), JUNG and YFiles (Java). I am now entering the area of parallel and high perfomance ...
8
votes
4answers
411 views

Hosting site for a small scientific library

For my research work I have been developing a small C++ library aimed at facilitating the communication between C++ computational codes and Octave/Matlab (when the latter is used for post-processing ...
9
votes
3answers
394 views

Recommendations for a lightweight/no-install C or C++ based dense linear algebra solver

Most of my programming is one-off research codes in C for my own use. I have never distributed any code to other than close collaborators. I have developed an algorithm that I am publishing in a ...
10
votes
2answers
266 views

Task-based shared-memory parallel libraries in Scientific Computing

In recent years, several libraries/software projects have appeared that offer some form or another of general-purpose data-driven shared-memory parallelism. The main idea is that instead of writing ...
5
votes
2answers
331 views

Recommendations for a usable, fast GPL-compatible derivative-free numerical optimization library that can be interfaced to C++

I am dealing with optimization of functions for which I do not have derivatives available, and the optimization is not constrained. I am searching for a high quality GNU Public License-compatible ...
5
votes
1answer
426 views

What are the strategies for local Adaptive Mesh Refinement (local AMR) on unstructured meshes?

I am interested in local AMR on unstructured meshes. Currently, I'm working with the OpenFOAM library - it supports completely unstructured local AMR: cell refinement criteria determine a list of ...
4
votes
2answers
433 views

How to quickly implement and test a turbulence model?

What is the best software for quickly implement and test a Reynolds Averaged Navier-Stokes turbulence model ?
2
votes
3answers
499 views

What modern OOP features should a computational scientist use? [closed]

Many computational scientists that I know of, including myself for example, are not computer scientists. As such they are often not very well aware more advanced techniques in OOP. On the other hand, ...
7
votes
1answer
307 views

C++ library for graphs with maximum common subgraph solver

I'm looking for a convenient, free C++ library for graphs that include a solver for the maximum common subgraph (MCS) problem. I'm aware of the Boost Graph Library and LEMON , but neither includes an ...
13
votes
1answer
418 views

Are there any open source inverse-based multilevel ILU implementations?

I am very impressed with the serial performance of multilevel inverse-based ILU preconditioners, particularly for heterogeneous Helmholtz, but I am surprised to not be able to find any open source ...
4
votes
1answer
218 views

Outputting a distributed vector in PETSc

I'm working with someone else's code that uses PETSc 3.0.0-p9. They have a vector at the end of the computation that is distributed among a number of different processors, and I want to output that ...
8
votes
2answers
376 views

Which Sparse Matrix Solver Libraries can I run on Android?

The title says most of it. I'm looking for a lightweight and easy-to-use library that I can use for Android (NDK) projects. For dense stuff I like using Eigen but I haven't found many comprehensive ...
3
votes
1answer
81 views

What is the naming convention used in ScaLAPACK?

I see that there are many files in the ScaLAPACK library without any immediately obvious naming convention... I'm sure that if the first letter is "p", it means parallel. But I'm not sure how to make ...
9
votes
4answers
974 views

Is there a general-purpose library for structured grid adaptive mesh refinement?

Adaptive mesh refinement (AMR) is a common technique for dealing with the problem of widely varying spatial scales in the numerical solution of PDEs. What general-purpose libraries exist for AMR on ...
10
votes
1answer
289 views

Library for Fourier transform on triangle lattice

I am looking for reasonably fast implementations of the discrete Fourier transform (DFT) on a 2D triangular or hexagonal lattice. I would appreciate pointers to such implementations (especially ones ...
-1
votes
1answer
183 views

How do you install a binary R package?

I need instructions on how to install a binary package in R.
9
votes
1answer
542 views

Replacing Mathematica's QuasiMonteCarlo integration in C++

I have a Mathematica program which performs some integrals in 3 or 4 dimensions using the QuasiMonteCarlo method. The problem is, it takes an annoyingly long time ...
6
votes
2answers
670 views

Which libraries have good implementations of Basis splines?

I'm looking to use the finite element method with B-splines as my function basis. Which C/C++ libraries have good B-spline support? Specifically, I'm looking for an implementation of a stable ...
1
vote
3answers
374 views

List of data munging libraries

I am trying to put together a complete list of all of the tools that computational scientists have found useful when trying to munge data, i.e. take data in one format, extract the useful bits, and ...
10
votes
1answer
174 views

Quadrature rules, methodologies, and references

There is at least one quite comprehensive encyclopaedia of quadrature rules that doesn't seem to have been updated in quite a while and has restricted access. This source refers to several classical ...
3
votes
2answers
398 views

Looking for a library or algorithms to perfom clipping 3D unstructured meshes by a set of surfaces

We have a 3D (volume) unstructured, possibly hybrid, degenerative irregular mesh data structure that we are capable of generating (mostly composed of hexahedra and general polyhedra, using a mix of ...
11
votes
5answers
911 views

C++ or Python for a development of CFD library

What would you say would be the advantages/disadvantages of two approaches to coding a general (finite volume, fem, dg) library for Computational Continuum Mechanics? This is how I see things right ...
15
votes
2answers
636 views

Which libraries have good high-level support for multigrid?

I'm planning to use multigrid to calulate some eigenvalues and vectors, and I noticed PETSc has high-level support for multigrid. The PETSc documentation says that this part of PETSc should not be ...
27
votes
2answers
4k views

Mathematical Libraries for OpenCL?

I am looking for information from anyone that has tried to use OpenCL in their scientific code. Has anyone tried (recently) ViennaCL? If so, how does it compare to cusp? What about OCLTools? Does it ...
17
votes
4answers
3k views

Performance differences between ATLAS and MKL?

ATLAS is a free BLAS/LAPACK replacement that tunes itself to the machine when compiled. MKL is the commercial library shipped by Intel. Are these two libraries comparable when it comes to performance, ...
4
votes
1answer
98 views

Profiling numeric libraries

What efforts have been made to quantify the costs of the common numeric workhorse operations such as those found in LAPACK, BLAS, sparse matrix operations, etc.... We have several libraries which ...
38
votes
14answers
2k views

Is it common not to use libraries for standard numerical algorithms, and why?

A lot of numerical algorithms (integration, differentiation, interpolation, special functions, etc.) are available in scientific computation libraries like GSL. But I often see code with "hand-rolled" ...
11
votes
3answers
592 views

Efficient tridiagonal matrix algorithm implementation

I am solving a physical problem using implicit numerical scheme. This leads me to solving a linear equation with tridiagonal matrix. I've coded this algorithm from Wikipedia. I wonder if there is an ...
13
votes
2answers
2k views

Libraries for solving sparse linear systems

There are a number of different libraries out there that solve a sparse linear system of equations, however I'm finding it difficult to figure out what the differences are. As far as I can tell there ...