A multi-procedure, multi platform electron spectrum evaluation program, with special options for atomic physics and XPS/UPS spectroscopy.
J-ICE stands for Jmol interface for crystallographic and electronic properties. Is an extension of the powerful, platform independent molecular visualizer Jmol, towards crystallographic and electronic properties. More info will be given soon.
Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
MBDyn_sim_suite is a collection of free pre&post-processing tools and simulation models for the open-source multi-body analysis software MBDyn forming a general purpose simulation environment for structural dynamics with an emphasis on wind turbines.
A code primarily aimed at DNA and RNA coarse-grained simulations
oxDNA is a simulation code that was initially conceived as an implementation of the coarse-grained DNA model introduced by T. E. Ouldridge, J. P. K. Doye and A. A. Louis (http://dx.doi.org/10.1063/1.3552946). It has been since reworked and it is now an extensible simulation+analysis framework. It natively supports DNA, RNA, Lennard-Jones and patchy particle simulations on both CPUs and NVIDIA GPUs.
Profiling and analysis of laser beams with ImageJ
This open-source software enables profiling and analysis of laser beams. It can be used with a variety of cameras supported by ImageJ and Micro-Manager, or images from any other source. It provides all common analysis methods like D4Sigma, knife-edge, as well as fitting of Hermite-Gauss and super-Gauss functions.
Sail7 is a design and optimisation tool for sail performance.
Sail7 is an analysis tool based on the linear panel methods. It is a derivative of xflr5.
Massively Parallel Quantum Chemistry program
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
TMVA is a ROOT-integrated toolkit for multivariate classification and regression analysis. TMVA performs the training, testing and performance evaluation of a large variety of multivariate methods.
free2bind a suite of general purpose bioinformatics tools for computing the minimum free energy (the most stable) binding between two separate RNA molecules.
This library is meant for high performance calculations for science or 3D games/rasterizers using SIMD instructions of x86 processors to allow an unparalleled level of optimization. This takes advantage of MMX, 3DNow!, 3DNow!+/MMX+, & SSE/SSE2/SSE3/SSSE3
A wxWidgets-based project aimed to make math-typing, plotting and symbolic math easier; user can easily input, plot and save/load math data in various formats (e.g. MathML). Step-by-step resolution makes this a powerful didactive tool.
Interactive program for evaluation of Laue diffraction patterns
Clip is an interactive program for simulation, indexing and refinement of Laue diffraction images.
Routines for wavefront propagation in IDL, Matlab, and Python
PROPER is a library of routines for the propagation of wavefronts through an optical system using Fourier-based methods. It was developed at the Jet Propulsion Laboratory for modeling stellar coronagraphs, but it can be applied to other optical systems were diffraction propagation is of concern. It is currently available for IDL (Interactive Data Language), Matlab and Python (2.7 & 3.x). It includes routines for generating complex apertures and obscurations and aberrations (Zernike & PSD-defined). It includes a model of a deformable mirror for wavefront control. The routines perform near and far field propagation with automatic selection of propagators. All Python users are urged to download v3.0b, which has some major bug fixes. The latest Python version is v3.0b released on 6 Mar 2018. IDL and Matlab versions are v3.0a from 22 Jan 2018.
The repository has been moved to: https://github.com/wojdyr/fityk. Fityk is nonlinear curve-fitting and data analysis software. It is specialized in fitting peaks (bell-shaped functions like Gaussian, Loretzian, Pearson7, Voigt) to experimental data.
Free multiphysics simulation software package
Advanced Simulation Library (ASL) is a free and open source multiphysics simulation software package. Its computational engine is based, among others, on the Lattice Boltzmann Methods (http://en.wikipedia.org/wiki/Lattice_Boltzmann_methods) and is written in OpenCL (http://en.wikipedia.org/wiki/OpenCL) which enable extraordinarily efficient deployment (http://asl.org.il/benchmarks) on a variety of massively parallel architectures, ranging from inexpensive FPGAs, DSPs and GPUs up to heterogeneous clusters and supercomputers. The engine is hidden entirely behind C++ classes, so that no OpenCL knowledge is required from application programmers. ASL can be utilized to model various coupled physical and chemical phenomena and employed in a multitude of fields: computational fluid dynamics, virtual sensing, industrial process data validation and reconciliation, image-guided surgery, computer-aided engineering, high-performance scientific computing, etc..
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.
Remember when you wrote your games in Pascal? Well continue that fine tradition by using JEDI-SDL! Which works with Delphi, Kylix, Free Pascal, Gnu Pascal and TMT Pascal. Cross-platform game develpment has never been easier!
This library is a Fortran 95 gnuplot interface for some Unix like OS'es. This provides some routines that enables direct access of a child gnuplot session from a Fortran 95 program. You will need a copy of fortranposix to make this work.
Interactive mesh creation tool. Discretizer will create geometry and meshes for three dimensional flow simulations (CFD). Geometry import is not a goal: Discretizer will be furiously fast geometry builder(on many common engineering applications at least)
Finite Element Method on 3D Meshes
f3dmlib is a FEM library that can read, write and analyse 3D tetrahedral meshes, minimize a given functional, and refine the resulting meshes. The minimization is parallelized with OpenMP. Three main features in unstable 1.8.x version (available via GIT): quadratic elements, periodic boundary conditions, and the solver for scalar and electromagnetic wave equations. f3dmgeom is a collection of a few simple tools for creating surface meshes for tetgen. It can handle simple geometries only.
X-Bc (formerly: xbc) is a graphical user interface to the command line calculator bc. All Inputs and Outputs stays visible for editing and comparing. Functionality: trigonometry, number-theory, exponential funcs, scientific constants, primenumbers ...
Agent-based simulation toolkit
It is an open source scientific library that is focused on multi-agent simulations on graphs. It prepares basic toolkit for agents, models, timers, graphs, nodes and edges. It is also accompanied with tools for data processing.
Hotstop is scientific software that allows to extract experimental ion stopping force curves from RBS spectra (as well as to stimate uncertainities) It uses Simulated Annealing and Bayesian Inference algorithms.