OpenScience / Software



OpenLB

Posted on October 27, 2007 by Dan Gezelter

The OpenLB project provides a C++ package for the implementation of lattice Boltzmann simulations that is general enough to address a vast range of problems in computational fluid dynamics. The package is mainly intended as a programming support for researchers … Continue reading →

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Posted in Fluid Dynamics | 1 Comment

NCAR Graphics

Posted on September 6, 2007 by Dan Gezelter

NCAR Graphics is a Fortran and C based software package for scientific visualization Find NCAR Graphics at: http://ngwww.ucar.edu/

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Posted in 2D Plotting | Leave a comment

EasyChem

Posted on September 5, 2007 by Dan Gezelter

EasyChem is a program designed to draw chemical molecules, written under Linux and using Gtk+ 2. Focus is on press-quality final drawings, drawing very easily ornaments (non-bonding electron pairs, …) and exporting to EPS/PDF formats with LaTeX fonts (Computer Modern). … Continue reading →

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Posted in Molecule Viewers and Editors | Leave a comment

Opium: Pseudopotential generation project

Posted on August 16, 2007 by Dan Gezelter

Opium is a pseudopotential generation tool for planewave pseudopotential calculations in condensed matter. At present, it supports generation of pseudopotential formats suitable for CASTEP, ABINIT, PWSCF, Bh, and FHI98md. Find Opium: Pseudopotential generation project at: http://opium.sourceforge.net/

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Posted in Condensed Matter | Leave a comment

nemesis

Posted on August 9, 2007 by Dan Gezelter

nemesis is an open source, experimental, C++ finite element code, freely distributed under the terms of the GNU Public License. Find nemesis at: http://www.nemesis-project.org

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Posted in Engineering | Leave a comment

Math::MatrixReal

Posted on August 8, 2007 by Dan Gezelter

Math::MatrixReal is a nifty perl module for doing just about anything you could want with an NxN matrix, or vector of real numbers. Find Math::MatrixReal at: http://leto.net/code/Math-MatrixReal/

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Posted in Numerical Methods | Leave a comment

AGM Build

Posted on July 19, 2007 by Dan Gezelter

A molecular builder and conformational editor. AGM Build can be used for interactive model preparation for molecular dynamics simulations, including association of atom types and partial charges. Features: * Geometry editing * Lattice building * Building of chain molecules (for … Continue reading →

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Posted in Molecule Viewers and Editors | Leave a comment

jMATLAB

Posted on June 28, 2007 by Dan Gezelter

jMATLAB is an Eclispe based interpreter interface to linear algebra libraries. It is based on the notion of MATLAB. It provides MATLAB like scripting language for quick programming. It also provides ability to write toolboxes using java based plug-ins. Interface … Continue reading →

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Posted in Linear Algebra | Leave a comment

Cool new software

Posted on June 28, 2007 by Dan Gezelter

A whole bunch of new software to highlight today: In our Engineering section, we have two new packages: OOFEM is an object oriented, parallel, multiphysics finite element code system for solving mechanical, transport and fluid mechanics problems, and ASCEND is … Continue reading →

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Posted in Science, Software | 2 Comments

massXpert

Posted on June 27, 2007 by Dan Gezelter

This massXpert package aims to give mass spectrometrists a software package to simulate and analyze data obtained on linear (bio-)polymers. Users are empowered to define their polymer chemistry at a rather fine detail level. The new polymer chemistry definitions are … Continue reading →

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Posted in Analytical | Leave a comment