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Questions tagged [libraries]

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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120 views

Libraries to deal with unstructured grids

I am dealing with a *.cgns file. This mesh format, when saved as an unstructured grid, holds nodes coordinates, nodes connectivity per element and boundary ...
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58 views

Good C++ optimization library for BFGS

To implement maximum likelihood estimators, I am looking for a good C++ optimization library that plays nicely with Eigen's matrix objects. Eigen has some capability of interfacing of its own but if ...
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1answer
133 views

Integrating/Implementing NURBS-related calculations

Recently, I started to develop some codes that use NURBS (general things I intend to use/already using: spline generation, interpolation, grids, isolines, closest-point find, and many others), both ...
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1answer
72 views

Looking for a converter of AMPL/GAMS models into C code

I've done an extensive web search, but could not find an option. Conversion between model formats is available, but conversion of objective function and constraint equations into C code seems absent. ...
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1answer
271 views

I've developed a derivative-free optimization method, looking for comments

Here is the URL: https://github.com/avaneev/biteopt I've tested it on numerous global optimization benchmarking functions (included), and on real-world hyperparameter optimization problems I have. ...
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59 views

Dealing with non-physical negative ODE solutions using ODEPACK

Hi and thank you all again. I am solving the reaction-diffusion-advection equation as follows $ \partial_{t} n\left(t,z\right) = -\partial_{z}\left(\Phi\left(t,z\right)\right) + p\left(t,z\right) -n\...
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1answer
123 views

Integrating over $\mathbb{R}^{3}$ without a convex subset

I am working on a problem (solid state physics, I am stripping all the details for brevity but if more details can help I'll elaborate) where I need to numerically calculate an integral of the form: $$...
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1answer
110 views

Does the IEEE-754 standard mandate that exp2 is rounded correctly?

The IEEE Standard for Floating-Point Arithmetic section "9.2 Recommended correctly rounded functions" lists functions that are recommended (but not required) by a language standard to provide, among ...
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2answers
70 views

Software that does naïve or formal simplification of mathematical expressions

Devil-may-care that I am, suppose that I wanted to 'simplify' the following expression, utterly ignoring the fact that it's very naughty to raise various kinds of numbers to arbitrary powers or to ...
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1answer
103 views

Using GSL for basic operations

I am learning C/C++ for Scientific Computing and I have a question regarding the usage of scientific libraries for basic operations. Suppose I have to write a small program in C for a bioinformatics ...
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0answers
119 views

minimalistic library for classical molecular mechanics force-field in C/C++/Python

I would like some classical molecular mechanics forcefield library or super-simple program which does not have any external dependences, so that I can plug it into my software without worry of "...
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1answer
57 views

New releases of libraries

For some time I wrote every bit of my code by myself without using external sources. However after my problems became more complicated I decided to use external libraries. For example to save and ...
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167 views

Numerical integration using interval arithmetic, nowadays

Is there now a package for rigorous numerical integration that uses interval arithmetic and has access to a well-developed library of special functions? By "well-developed", I mean something that, at ...
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0answers
210 views

Package for Discontinuous Galerkin method

I am trying to find some package of Discontinuous Galerkin (DG) method for solving hyperbolic and parabolic equations. In my research, I focus on designing new schemes for some very simple equations ...
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75 views

FEM libraries with trace spaces

To implement hybridizable discontinuous Galerkin methods, one needs finite element spaces defined on the skeleton of the mesh. deal.II has support for HDG through FE_FaceQ class which provides ...
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3answers
753 views

Which C++ Multi-objective Optimization libraries allows the addition of custom problems and custom algorithms?

I'm working on a custom discrete and constrained multi-objective optimization problem and I'd like to know which libraries or platforms that implement algorithms like ...
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1answer
114 views

Is OPENFOAM a good idea for direction/operator splitting in parabolic equation

I would like to know if I should switch to OPENFOAM for my task. I work only with Cartesian grids, right now in 2d, rectangular domains only. If $\mathbf{w} = (w_1, w_2)$ and suppose I want to solve ...
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2answers
226 views

FEM libraries with weak forms

I need to implement a structural analysis code, and I turn to you for advice. My needs are simple: Library must be integrable in a C++ code I want to express a weak form, without manual intervention ...
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1answer
59 views

library for arithmetic operations on unstructured xyz

I've got several sets of xyz-data where x,y are coordinates and z is a 'value'. I want to be able to do simple arithmetic operations on these data. The x,y locations are not necessarily the same in ...
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2answers
446 views

Library with polylogarithm function [duplicate]

I am looking for a reliable library where I can find polylogarithm function and newton/secant method for solving non-linear equations. Basically I have something like this: ...
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1answer
294 views

Code to update dense QR and Cholesky factorizations

I am looking for some production-ready code to update dense QR and/or Cholesky factorizations (by adding / removing rows and columns or making small-rank updates -- yes, I need all these cases). I ...
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1answer
92 views

Templated Numerical Linear Algebra in Parallel

I have to invert large, but densely populated matrices with higher precision arithmetic. Therefore I am looking for something like the PLASMA library, which can do Cholesky or LU factorization in ...
2
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1answer
254 views

Kernel of a Sparse Matrix

Given a sparse rectangular matrix $A$ (let's say, with dimension $n,m$ and number of non-zero elements $O(n)\sim O(m)$) with entries in $\mathbb Z/2\mathbb Z$ I'm looking for a basis of the kernel as ...
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2answers
815 views

Finite element library in fortran

I want to create a finite element code in fortran. There are many libraries out there on internet. Can someone suggest me a good finite element library in fortran? I am looking for Ease of use (...
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1answer
484 views

Is there a single C++ IDE packed with necessary scientific libraries for computing purpose?

I am basically looking for a good open source C++ IDE with scientific and visualization libraries built in. Can any one suggest few projects?
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0answers
46 views

Fast library for parallel n-diagonal matrix inversion

I've tried looking for efficient parallel algorithms to solve banded systems. SPIKE is a good example but it however requires that the band size is large. Is there any efficient library implementing ...
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0answers
260 views

Pastix installation [closed]

I'm trying to install Pastix library, but I'm still having problems with missing libraries and I'm really helpless now. I started with copying LINUX-GNU.in as <...
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2answers
2k views

C++ Library: What is the common libraries that do polynomial arithmetic?

I need to know what libraries (in C++) support polynomial arithmetic specially over a field. So I can give to it an array of coefficients of polynomial over a field and it returns the roots of ...
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1answer
100 views

How do I make sparse solvers to accept custom matvec function insted of matrix?

I have tried it with Lis, Intel mkl and PETSc. Everywhere you need to pass an actual matrix ...
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2answers
155 views

Using computational libraries on a machine without root access

If you want to use a computational library on a high-performance computing center where you have no root access to install new software you can use header-only template libraries such as MTL4, Eigen3, ...
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1answer
97 views

Shared memory parallel computing solutions compared

As of 2015, what shared memory parallel computing solutions are available? What are the advantages and disadvantages of each for various use cases arising in high performance scientific computing? I ...
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1answer
1k views

Solving Advection (Convection) - Diffusion - Reaction Partial Differential Equation in Python

I am looking for library written in Python which will enable me to solve the coupled nonlinear equations which looks like: I need the library which will enable me to couple this solver to other ...
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2answers
1k views

Solving Lx = b for big sparse Laplacian matrices

What algorithm is more practically suited in terms of performance for solving the $\mathbf{Lx=b}$ equation, where $\mathbf{L}$ is a generic Laplacian matrix (associated to a strongly connected graph, ...
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4answers
2k views

Looking for Runge-Kutta 8th order in C/C++

I would like to use Runge-Kutta 8th order method (89) in a celestial mechanics / astrodynamics application, written in C++, using a Windows machine. Therefore I wonder if anyone knows a good library / ...
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4answers
400 views

Measurement error library

Is there a python library that would keep track of uncertainty in measured data? i.e. if I put in a figure of a±b is there an easy way to track the propagation of error through calculations.
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2answers
1k views

Impact of frequent row major / column major conversions using LAPACK/BLAS?

If you call a library like LAPACK or BLAS (which are written in FORTRAN and use column major order) from a C-like language that uses row major order, won't you lose performance and use a lot of memory ...
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2answers
203 views

Suggestions for open source C++ library for medium scale non-linear solver

I need to find the root of a nonlinear system (which comes out of collocation, so I will change the order to test). I will likely have about 50-300 variables, and the Jacobian is going to be ...
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5answers
810 views

Open source auto-differentiation for MATLAB?

Are there any open-source auto-differentiation libraries for MATLAB? I am aware of commerical packages such as http://tomopt.com/tomlab/products/mad/ and plenty of C++ libraries, but I can't find much ...
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2answers
102 views

Local versus remote development

I know there are similar questions asked on other StackExchange sites, but I think development in Computational Science may work differently because of the computing environments that are common. I ...
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1answer
448 views

Solver for large non-linear system of equations

I am curently using R package nleqslv for solving a non-linear system of equations with 300 variables. I need to scale this to the system with ~50k variables and naturally this does not scale very ...
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1answer
1k views

GPU-accelerated libraries for solving sparse linear systems

There are several libraries to (iteratively) solve large sparse linear equation systems in parallel on a number of CPUs. Our parallel cluster also has attached powerful GPUs, but so far, I did not ...
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1answer
241 views

Solver library for matrix-free linear equation system

I will have to solve a large linear system. I'm now looking for a solver that works "matrix-free" (So that I just have to specify a matrix-vector product, but not the matrix). As far as I understand (...
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1answer
304 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 (...
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2answers
2k 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 ...
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1answer
162 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: ...
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1answer
69 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. ...
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3answers
299 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 ...
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1answer
169 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() . I'...
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3answers
446 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 ...
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3answers
2k 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 ...