Questions about libraries and standalone software designed or well-suited for scientific or numerical calculations.

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1
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1answer
31 views

Solving a problem using multiple threads using CLP

Is it possible to run Clp on multiple threads using Julia and JuMP?
1
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0answers
14 views

Understanding the use of Minimum Translation Vector (MTV) for an elastic collision response

So, I'm trying to simulate polygon rigid body physics, both linear and angular. To calculate the MTV is easy in SAT (Minimum Translation Vector), and to use it to adjust position is also easy: ...
7
votes
1answer
65 views

Do C++ matrix libraries translate compound vector operations to single loops?

I am trying to replicate Fortran90 array syntax using a C++ library. The libraries themselves are discussed at length in this question. They can all do something like this: ...
5
votes
4answers
158 views

Should I use a database to handle large amounts of results?

Background: I am currently running a large amount parameter variation experiments. They are being run in Python 2.6+, using numpy. These experiments are going to take about 2 weeks to run. Roughly I ...
1
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2answers
93 views

FOSS tools for creating high quality physics animations and simulations in 2d and 3d

If I want to create a high quality figure to illustrate a scientific concept or experiment I usually use tikz together with ...
3
votes
2answers
76 views

Automated software optimization and tuning

I'm writing code that uses a lot of graph operations; many higher-level algorithms iterate over all the graph edges and do some processing on them. There's an iterator method that returns a batch of ...
2
votes
2answers
80 views

Tool for computing electric field on a 3d surface

I'm looking for software recommendations for an electrostatic simulation: I have a 3d object of uniform, high conductivity, separated from its environment by a high-resistance skin. Inside that ...
0
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0answers
42 views

Recursive code that uses Newton's method to calculate bands of the Kronig Penney model [closed]

Can someone help or give me some input writing a program (matlab) preferable, that will recursively calculate the bands of the Kronig Penney model? Unfortunately, I haven't taken any computer class ...
1
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0answers
51 views

An efficient way to convert between MKL and Armadillo types

We use Armadillo a lot in our code but there are places where we prefer to use MKL directly from Vector Math Library. We have cx_vec i.e. vector of doubles. But the exp function of armadillo uses ...
0
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0answers
123 views

Free HFSS alternative to create geometry using python

I am using a python script to create wirebond interfaces in Ansys HFSS. Variables define the board, wirebond, and package geometry. To simulate a new wirebond, I just edit the geometry variables and ...
2
votes
1answer
70 views

Sparse quadratic programming solver

For a hobby project I need to solve a series of quadratic programming problems each with about 500 variables about 1000 constraints, each of the form $x_i-x_j\le c_{ij}$ the objective function is ...
0
votes
1answer
42 views

Angular Velocity by Vector - 2D [duplicate]

This is originally a problem in programming, but since almost no one on Stackoverflow know how to solve this I went here instead; ...
0
votes
1answer
55 views

Getting wrong results when calculating Physics [closed]

Im making a physics app where im calculating a projectile and im using forces to calculate the acceleration but im getting some pretty strange results when calculation the drag and magnus effect. I ...
2
votes
1answer
140 views

Celestial mechanics simulation software? The 'N-Body Problem'

What software or sites might simulate an N-body gravitational problem? Application is related to Klemperer Rosette or Iridium Satellites. Bias for C, C++, PHP, or Java. Nice visuals a big plus. ...
4
votes
1answer
142 views

User Friendly GUI based 3d PDE solving software

I'm searching for software which can solve 3d IBVP like PDEtool in Matlab (user-friendly GUI, easy to learn how to use). What could you advise to me? (ANSYS,COMSOL,OpenFOAM are too difficult for me)
0
votes
1answer
41 views

Best way of getting updates on intermediate simulation results

I will be interfacing our fluid dynamics code with an optimizer. I expect the optimization process to take 3-4 days for any decent decrease. But I will want to have a look at the intermediate results ...
0
votes
1answer
138 views

What libraries provide an implementation of multigrid?

I am working on numerical method of Multigrid. What's the available implementation(solver) (actually used in scientific computation) of multigrid method?
0
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1answer
51 views

Can I use Engineering codes like ASHRAE , NFPA and UPC in my software without permission? [closed]

Say, I want to use the UPC code Water Supply Fixture Unit tables in my software that I'm writing ... is it okay or there will be copyright issues?
0
votes
0answers
101 views

Salome-Meca, and using a custom solver

I just downloaded Salome-Meca build. I've used Salome previously so I'm competent enough to build geometry, create basic meshes and make surface groups for boundary conditions. What I'm not familiar ...
4
votes
3answers
445 views

What's the fastest software(open source) to solve mixed integer programming problem

I have a mixed integer programming problem. And I am current using GLPK as my solver. But I found that GLPK is good for Linear Programming problem, but for Mixed Integer programming, it requires much ...
3
votes
1answer
203 views

Partial trace algorithm (original)

In general, is there a partial trace algorithm (ideally for systems of any size) that can be coded using basic matrix operations found in software like Mathematica or Maple? All of the methods I'm ...
6
votes
2answers
226 views

Feasibility and software for acoustic simulation

I'm looking at doing a finite-element simulation of air flow essentially for the purposes of approximating the response to an external audio impulse of a smallish (~10-30 cm scale), stationary ...
1
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0answers
48 views

How can i find the coordination number with voro++?

Could anybody please help with voro++ cause i am new to this software?My problem is how can i find the coordination number of an atom ,cause i checked it for a bcc lattice and it gave me 24 for all ...
0
votes
1answer
55 views

How can I apply a rib symmetry in a waveguide mode solver in Fortran? [closed]

How do I apply symmetry rib in a waveguide mode solver using the finite element method in Fortran?
0
votes
1answer
93 views

Non-deterministic/probabilistic molecular dynamics simulations

I'm looking for a piece of software for performing molecular dynamics simulations with the following specifications: required: well published (as in there are papers citing it in one or more ...
5
votes
4answers
161 views

Computational science contests. Why arent there any?

I was wondering why there are no online or offline computational science contests? At least I couldn't find much by googling. I mean, like a topcoder for computational sciences. I assume one reason is ...
0
votes
1answer
348 views

libgcc_s_sjlj-1.dll is missing

After download from http://sourceforge.net/projects/reduce-algebra/files/ and unzip reduce-windows64-20101007.zip failed to open reduce, got error in window 8 libgcc_s_sjlj-1.dll is missing
7
votes
1answer
140 views

MPI policy for multiple asynchronous transfers

What is the policy of multiple overlapping asynchronous transfers in MPI? I have a program with several open asynchronous irecv operations. I find that transfers ...
13
votes
3answers
469 views

What is the relationship of BLAS, LAPACK, and other linear algebra libraries?

I have been looking into C++ linear algebra libraries for a project I've been working on. Something that I still don't have any grasp on is the connection of BLAS and LAPACK to other linear algebra ...
1
vote
0answers
31 views

speckle interferometry (or other interferometry) software

This might not be the best place to ask, and if its not could someone please point me to where would be better, but here we go anyway. Does anyone out there know of open source software which can be ...
4
votes
3answers
330 views

Energy level diagram - software

Which easy-to-handle software would you recommend me for creating energy level diagrams? What do you use and what is your experience? I'm recently working on my bachelor thesis and I would like to add ...
3
votes
2answers
411 views

Survey on automatic structured mesh generation tools

I would like to gain knowledge on available free or commercial tools to generate automatically structured mesh from geometry, particularly quadrilateral. Which options do I have ?
1
vote
1answer
171 views

What kinds of size of matrix A that CHOLMOD can solve Ax=b

CHOLMOD is very fast, but I am just wondering what kinds of size A such that it can solve Ax=b. I have a A of 200,000 * 200,000, but it outputs errors" problem too large". I am very appreciated if ...
10
votes
1answer
126 views

Does anyone use software estimation methods in their computational science research?

At work, I essentially function as an independent consultant. For management and customers, I need to estimate the amount of time it will take to develop software as part of my computational science ...
3
votes
3answers
483 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 ...
7
votes
2answers
173 views

Caching mechanism

I've been having problems designing an effective caching mechanism. The mechanism is to be used as part of a project developing scientific software. The goal is to save computation time by loading ...
5
votes
1answer
214 views

Package for determining power output of windmill shapes?

I'm looking for the best package for doing the following: building a 3D model (or loading externally) of a non-standard windmill shape, simulating an airflow over the model, and determining the ...
2
votes
1answer
331 views

tecplot 360: convert face-centered data to node data

Is there a way in Tecplot to change data from face-centred to node-based? If I look at the plot, it seems to me that internally Tecplot is changing the data from being at the centre of the face to ...
1
vote
1answer
128 views

Dakota Optimizer - plot objective functions in real-time

I am using the Dakota Optimizer. I have 50+ variables, 50+ constraints and more than one objective function. Independent of the actual optimizer used, or the output selected: Is there a way to plot ...
2
votes
1answer
47 views

Integrating from tabular data, in particular steam tables

I'd like to be able to view in graph form the volume and pressure of steam produced from heating water in a sealed vessel, starting from room temperature water. Important variables, such as the ...
0
votes
3answers
185 views

CAD like visualisation of 3D vector data?

It looks like MATLAB and Mathematica is often used for post-processing and data visualization of 3D vector data. Now consider you are simulating 3D objects and get out gradient fields etc., is there ...
5
votes
1answer
91 views

Modern alternatives to DRESOL Riccati solver

I am looking for a modern version or an alternative to the DRESOL package for differential matrix Riccati equations. The main issue that the original package uses single-precision type ...
2
votes
1answer
45 views

Not Sure How to Solve A System Of Linear Equations In MAPLE13

How can one solve the following system of linear equations in MAPLE 13?I know how to solve a linear equation with one variable floating around but not this one. $$x-2y+3z=10$$ $$3x-2y+z=2$$ ...
8
votes
1answer
111 views

Testing and visualizing large index arrays

I will be implementing nodal discontinuous Galerkin method soon, and having done this before I know the basic indexing arrays I will need to compute, given a mesh and polynomial data. The problem I ...
1
vote
1answer
238 views

How to include parameters in plot title in comsol? [closed]

I have a comsol model. I want to draw a few plots for different values of a global parameter called plot_z, e.g. if plot_z can ...
6
votes
2answers
272 views

FEM toolbox for discretization of higher order PDEs

Is there any (open source) FEM toolbox that allows the direct discretization of higher order PDEs without the need to split them up into systems of second order?
12
votes
2answers
192 views

What would be the most helpful way to write code for a paper so that readers can clearly match the results to the code that generates them?

I'm writing a reproducible paper, and the paper has computational results that are generated by a Python script (a similar MATLAB script generates nearly identical results). I feel that the paper ...
10
votes
5answers
255 views

Increasing the archival longevity of code

Is there a published list of best practices to ensure longevity of code, with an eye towards reproducible scientific results? (e.g. open source, documentation practices, selecting dependencies, ...
2
votes
3answers
137 views

Side chain rotamers sampling in protein

What is the best tool to sample rotamers in side chain amino acids in a protein? More exactly, I want to sample the different rotamers only for lysine residues while keeping backbone rigid. I've tried ...
0
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0answers
178 views

how to move particles in a variational monte carlo simulation

I'm attempting to implement some code that moves particles and then calculated the acceptance/rejection of the move, but i'm stuck in a rut, here is my python code: ...