APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!
Cross-platform, scientific graphics plotting library
PLplot is a cross-platform, scientific graphics plotting library that supports math symbols and human languages (via UTF-8 user input strings); plot capabilities for multiple non-interactive plot file formats and in multiple interactive environments; and bindings for multiple computer languages.
Data Analysis, Simulations and Visualization on the Sphere
Software for pixelization, hierarchical indexation, synthesis, analysis, and visualization of data on the sphere. Please acknowledge HEALPix by quoting the web page http://healpix.sourceforge.net and publication: K.M. Gorski et al., 2005, Ap.J., 622, p.759 Full software documentation available at http://healpix.sf.net/documentation.php Wiki Pages: https://sourceforge.net/p/healpix/wiki/Home GDL users should read https://sourceforge.net/p/healpix/wiki/HEALPix%20and%20GDL/
gputils is a collection of tools for Microchip PIC microcontrollers. Its goal is to be fully compatible with Microchip's tools, MPASM, MPLINK, and MPLIB.
The PDL module gives standard perl the ability to COMPACTLY store and SPEEDILY manipulate the large N-dimensional data sets that are the bread and butter of scientific computing.
Simple tools for working with gravitational waves
GWtool: simple tools for working with gravitational waves
Ultrascale Visualization Climate Data Analysis Tools
Ultrascale Visualization Climate Data Analysis Tools (UV-CDAT), is a powerful and complete front-end to a rich set of visual-data exploration and analysis capabilities well suited for climate-data analysis problems.
SWAN is a third-generation wave model, developed at Delft University of Technology, that computes random, short-crested wind-generated waves in coastal regions and inland waters.
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
This is a port of the ebe programming environment to QT.
The ebe programming environment is a nice IDE designed for developing Assembly programs. It also handles C and C++ programs as well since there was not much extra effort. It used to support Fortran and this could return if people want Fortran. This project is an effort to recode ebe using C++ and QT. Originally ebe was coded using Python, Tkinter and Pmw, which worked out pretty well. The QT environment offers substantially better GUI controls. The most obvious difference is that Python ebe has a lot of separate windows, while the QT ebe will use 1 main window and a collection of dockable subwindows. This will make it easier to use.
finFoil is an application to help amateur surfboard fin makers foil their fins properly. Check out the homepage for the latest news and tutorials: http://hrobeers.github.io/finFoil/ hrobeers
Generic data-assimilation toolbox written in java, with native (c and fortran) libraries for high performance computing. Provides tools to couple to your own model and a wide range of algorithms, ranging from parameter calibration to Kalman filters.
indent, beautify Fortran source
findent indents and beautifies Fortran source, fixed and free format, and converts Fortran fixed format to Fortran free format. Plugins for vim and gedit are included.
MMTL, the Multilayer Multiconductor Transmission Line 2-D and 2.5-D electromagnetic modeling tool suite, generates transmission parameters and SPICE models from descriptions of electronics interconnect dimensions and materials properties.
The Open-source Pseudopotential Interface / Unification Module (OPIUM) allows to generate pseudopotentials in an interactive way, perform ghost checks, Kleinman-Bylander transformation, and output in many different pseudopotential file formats.
PsiLAB is an environment for scientific research, numerical calculations and generic data analysis. It's written in the functional language O'CaML.
PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use most of the functionalities that may have those external programs interfaced without the necessity to be reimplemented again on independent interfaces. In fact, this simulation interface concentrates all the common code involved in the coupling terms of the QM/MM approach.
This site hosts the source code for C++ version of the Broker for SBW, NOM module, advanced simulation suite, analysis applications and model editors.
The allRound pocket sized CodeEditor.
Refurbished Scintilla.orgs/SciTE with some additional patches. -- Features -- - Full MinGW and GTK SDKs Autocomplete.(190+) - Do system scripting (bash, applescript, cmd, powershell, perl, j/vbscript, awk) - Examine all sorts of data files (sql, regedit, mib, xml, yaml, json, vcard ...) - Review difference and patch files - Create makefiles (gnu make / cmake) - Edit html, css and config files (with calltips) - Describe circuits in vhdl and spice. ... - And finally; read & write source code: - [ Syntax highlighted ] - go, vala, pike, swift, flash, ch, rust - [ Calltip assisted ] - c/cpp11, js&jQuery, python, php, ruby, lua, c#, java, perl --Others-- - Restructured config files with inline docs - Scriptable via lua Extension. - Provides theming, a customizeable toolbar, a sidebar and a cleaned up options Menu. --- Summary --- Enjoy your vlc for sourceCode lecture ;) (30Langs)
RINGS "Rigorous Investigation of Networks Generated using Simulations" is a scientific code developed in Fortran90/MPI to analyze the results of molecular dynamics simulations. Its main feature is the analysis of the connectivity using ring statistics.
enhancements and development for the Vis5d scientific visualization tool, a program to display volumetric datasets in 3+ dimensions.
A package of programs for performing extended Hueckel calculations on molecules and solids and visualizing the results. Visualization functionality for some quantum packages (ADF and LMTO) is also provided.
The GetData library provides an API to interface with Dirfile databases. The Dirfile database format is designed to provide a fast, simple, scalable format for storing and reading binary, synchronously-sampled, time-ordered data.
IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be