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.
Molecular Graphics and Dynamics. Molecular model builder. Part of the Ascalaph Designer http://sourceforge.net/projects/asc-designer/ project. Windows & Linux.
is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
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.
Molecular Dynamics Cell Construction
This is a collection of software modifications created to integrate NanoEngineer-1, PACKMOL and MSI2LMP for the purpose of easily creating molecular dynamics cells. NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. http://www.nanoengineer-1.net http://www.ime.unicamp.br/~martinez/packmol/ http://lammps.sandia.gov/
ETFOMM (Enhanced Transportation Flow Open-source-simulation Microscopic Model) is sponsored by a US DOT SBIR Program. The objective of the project is to establish a transportation flow simulation software program and its Application Program Interface. ETFOMM can be used as a DLL as a substitute for CORSIM in the TSIS package. It is compatible with TRAFED and TRAFVU. ETFOMM can also be used as a separate executable from a Windows or Linux command line. ETFOMM may also be linked into another application using the provided Application Programming Interface (API). TRAFVU and TRAFED are trademarks of ITT Industries, Inc., Systems Division.
Runge is an Interactive Solver for Systems of Differential Equations
Runge is an Interactive Solver for Systems of Ordinary Differential Equations. It solves initial value problem (aka Cauchy problem). Few advantages Runge provides: It's fast. It utilizes BLAS and LAPACK libraries optimized for modern multi-core processors. It's interactive. It allows you to start a solution by mouse click on a plane. It's precise. It uses Runge Rule to adjust step length to satisfy required precision on each step. It's effective. When it needs to compute derivatives (Jacobian matrix, for example) it does that analytically, i.e. without using numerical methods. It's portable. It works on Windows and Linux 32 and 64 bit and Mac OS X 64 bit. It's open. It allows you to implement and embed your own algorithms (aka "solvers"). It's easy to use. It allows to export results to MS Excel and MATLAB. It's multilingual. It currently supports Englis and Russian languages. It's free. It's distributed under the Boost Software License.
Real-time interactive 3D graphics API for scientific simulations
OpenFrames is an Application Programming Interface (API) that provides the ability to add interactive 3D graphics to any scientific simulation. A simulation developer can use OpenFrames to specify what they want to visualize, without having to know any details of computer graphics programming. Visualizations created using OpenFrames are cross-platform, hardware accelerated with OpenGL, and designed specifically to minimize computational overhead. They can be embedded within an existing GUI framework (e.g. Qt, wxWidgets, Winteracter) or created in independent OS-native windows. The OpenFrames API itself is written in C++, and bindings are available for C and Fortran.
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
Construct2D is a grid generator designed to create 2D grids for CFD computations on airfoils. The grids are generated in Plot3D format. The only required input file is the set of coordinates defining the airfoil geometry, using the same format as XFoil, the popular vortex-panel code for airfoil analysis. Construct2D can create grids with O topology (recommended for airfoils with a blunt trailing edge) or C topology (recommended for airfoils with a sharp trailing edge). Now available in version 2.0: hyperbolic grid generation to create higher quality grids in a fraction of the time compared to elliptic grid generation. Elliptic grid generation is still available also. Smooth airfoil surface spacing is handled automatically with user-controlled clustering parameters. Also included is a visualizer written in Python with matplotlib.
Simulation of EPR spectra of nitroxide biradicals
The program Orthros is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled.
Simulation of EPR spectra of nitroxide biradicals
The program Orthos is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled. NB: Please note that now (as of Nov 2016) the distribution is being updated so that to improve reliability, OS-universality, and the quality of documentation. If you have any troubles installing/compiling/using the software, please contact me. I would be glad to help.
A cross platform audio inteface
CIOS Audio Core is the infrastructure and subsystem in Collective Intelligence Operation System. It is a cross platforms audio abstract interface, supports including Mac OS X, Linux, Android, iPhone OS and Windows 7.
hydrological model for simulation of water and water quality over time
Please go to project home (http://hypecode.smhi.se) for more information. The hydrological model HYPE is developed at the Swedish Meteorological and Hydrological Institute (SMHI). The model simulates water, nutrients and other substances in small and large river catchments. Included in the project is HYSS, which is needed to run the model. It handles input and output and the simuation over time.
The software is developed for calculations of hierarchy big circuits by methods of the tensor analysis of networks and diakoptic. It is planned also to application for joint calculation of circuits and the fields presented by electrical equivalent circuits. For input of circuits editor KiCAD is used.
Please use the MOHID code official site http://mohid.codeplex.com/, Thank you, The MOHID team
SWASH is a general-purpose numerical tool for simulating unsteady, non-hydrostatic, free-surface, rotational flow and transport phenomena in coastal waters as driven by waves, tides, buoyancy and wind forces. It provides a general basis for describing wave transformations from deep water to a beach, port or harbour, complex changes to rapidly varied flows, and density driven flows in coastal seas, estuaries, lakes and rivers.
Benefit Your Learning of Climate Modeling
The goal of this project is to provide a couple of Fortran code to those students who selected the course of "Climate Modeling" in the department of atmospheric and oceanic sciences at Peking University. 这个项目的目标是给选择“气候模拟”课程（北京大学大气与海洋科学系）的同学提供与课程学习有关的源代码程序。 We are subject to GNU/GPL license and happy to open the code to the public. 我们遵守GNU/GPL协议，并乐于开放代码给所有需要的人。
A Platform for Multiscale Analysis
This project is mainly focused on development of a platform suitable for multiscale analysis of solids. The initial development is aimed at coupling finite elements with atomistic models and the Arlequin method. The features are: Fully extensible, object oriented Fortran 2003 compliant Many features of the Fortran 2003 standard such as derived data types, type extension, abstract data types, generic procedures, type bound procedures are used to make a flexible and doable code. MPI parallel molecular dynamics with 3 potentials (LJ, EAM, MEAM ). This is based on WARP which is an old version of LAMMPS. To easily understand and work with molecular dynamics/mechanics with effective potentials Interface to several linear equation solvers (MKL, MUMPS, PSBLAS, SPARSKIT) An F03 interface for LAMMPS (C++ version). This is coupled to ABAQUS too. All the LAMMPS object are accessible through the F2003 interface and this is used to concurrently couple LAMMPS
Data Processing and Analysis for X-ray Spectroscopy and More
Larch is a scientific data processing language that is designed to be easy to use for novices and complete enough for advanced data processing and analysis. Larch provides a wide range of functionality for dealing with arrays of scientific data, and basic tools to make it easy to use and organize complex data. Larch has been primarily developed for dealing with x-ray spectroscopic and scattering data, especially the kind of data collected at modern synchrotrons and x-ray sources. Larch is written in Python and relies heavily on the standard tools for scientific computing with Python (numpy, scipy, matplotlib, and h5py).
the MMM to HADDOCK tool
MISHAP is the open-source MMM in silico simulated spin label to HADDOCK program. MISHAP aims to take spin labelled proteins and the distance distributions between labels from in silico (MMM) calculations or experimental data (from pulsed electron-electron double resonance experiments which have been analysed with DeerAnalysis) and pass them to the biomolecular docking program HADDOCK as docking restraints.
Modeling and simulation tool for continuous and hybrid systems.
UPDATE: ----------- This repository is no longer maintained, the new version of the QSS Solver is available at: https://github.com/CIFASIS/qss-solver
Communication by amateur radio on the EME ("moonbiounce") path.
Open Source home for the Virtual Cell platform (VCell). See http://vcell.org/ for details.