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.
Carbon Fullerene and Capped Nanotube Generator
NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code.
CFD (computational fluid dynamics) software. Numerical 2d-solver for compressible ideal gases. Sophisticated turbulence and numerical approach which captures laminar-turbulent transition and aero-acoustic features.
The Open64 Compiler and Tools site is dedicated to the continued development of the former SGI Pro64(TM) compiler for the IA64, x86, CUDA and MIPS architecture.
Snd is a sound editor
Snd is a sound editor.
A free Fortran 2008, 2018 coarrays course with notes and exercises
Coarrays are native Fortran means for SPMD parallel programming. At runtime multiple copies of the executable (called images) are executing asynchronously. The F2008 standard provides coarray syntax, remote calls, coarray data objects, allocatable coarrays, syncronisation, atomics, etc. F2018 adds new functionality, e.g. collectives, teams, events, more atomics. Coarrays are used extensively in CASUP library for HPC (https://cgpack.sourceforge.io). The course is aimed at experienced Fortran users. Working knowledge of Fortran is assumed. The course is designed for a 1 day study with an instructor. Multiple exercises with full solutions are accompanied by notes. This course is taught to the University of Bristol HPC users. Exercises have been verified with Intel and GCC/OpenCoarrays. All course materials are released under BSD license. We welcome contributions, provided you are happy to release your work under BSD license. We welcome comments and problem reports.
Loglan language and Virtual Loglan Processor repository
Loglan'82 is a programming language conceived for object and distributed programming. It has many features that make Loglan'82 a tool surpassing other programming languages: * It enjoys a unique safe and efficient system of managing objects, see [[Safe dealocation]], * It offers modules of classes (__class__), moreover it allows to declare modules of cooperating objects i.e. **coroutines** and modules of threads ('''process'''). One can create not only objects of classes, but also objects of coroutines with their ''fibres'' and objects of processes, aka agents with their *threads*. * Virtual machines of Loglan may connect (through internet) in a virtual, multiprocesorr computer.This allows to distribute a computation of a program between processors in a controlled way. * Objects of processes (agents) can be alocated on different nodes of a network of virtual machines or on the same machine.
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.
This site hosts the source code for C++ version of the Broker for SBW, NOM module, advanced simulation suite, analysis applications and model editors.
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.
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.
Real Space Multigrid based electronic structure code.
News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.
Parallel finite element analysis
ParaFEM is an open source platform for parallel finite element analysis. The source code and philosophy are documented in the text book Smith, Griffiths and Margetts, "Programming the Finite Element Method", 5th Edition, Wiley, 2014. The software is written in modern Fortran and uses MPI for message passing.
Eclim is a set of eclipse and vim plugins to integrate the two projects.
Interpretation of Biomolecular MD simulations
MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.
ProtoFit is software for modeling the acid/base behavior of surfaces. The software is used for parameterizing surface protonation models and for visualization of potentiometric titration data.
Notice: RMG-Java is no longer in active development. Please find the latest version written in Python at http://reactionmechanismgenerator.github.io To see the website o the old Java version of RMG, visit http://rmg.sourceforge.net RMG (Java version) is an automatic chemical reaction mechanism generator that constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react (currently limited to C, H, O, and S atoms).
IRBEM-LIB provides routines to compute magnetic coordinates for any location in the Earth's magnetic field, to perform coordinate conversions, to evaluate geophysics/space-physics models, and to propagate orbits in time.
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Program for viewing, editing, manipulating, and analyzing absorbance spectra. Simple arithnetic includes making linear combinatins of up to 10 spectra. Advanced functions include fitting spectra as LC of standard basis spectra, singular value decomposition, Fourier transform, differentiation, integration, global fitting of 3D titration and kinetic data. Graphics features allow composing Figures and export to postscript files which can be converted to pdf, imported into photoshop for rasterization, or used in page design software like Illustrator.
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.
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.
A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
Computational electromagnetics software. Uses surface Method of Moments, enhanced by using the Multilevel Fast Multipole Method. Code is parallelized and runs on laptops, desktops and clusters. The code precision is adjustable, it is fast and uses little memory. CFIE is used for closed surfaces, and EFIE for open PEC surfaces. Can function on GMSH, GiD and ANSYS meshes.
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.