Project to develop a set of open source tool to help people working in the HVAC/R (heating, ventilation, air conditioning and refrigeration) area.
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.
The DUNS (Diagonalized Upwind Navier-Stokes)code is a 2D/3D, structured, multi-block, multi-species,reacting, steady/unsteady, Navier Stokes fluid dynamics code with q-omega turbulence model. It currently uses a diagonalized ADI procedure with upwind diff
FLENS (Flexible Library for Efficient Numerical Solutions) is a C++ library for scientific computing. It can be considered as a very convenient and --- at the same time --- extremely efficient interface for BLAS and LAPACK. But it is much more than this
The Xtal System is a comprehensive suite of small molecule structural solution, refinement and analysis software, supporting both X-ray, neutron and electron diffraction data. It runs on both Unix and MS Win32 platforms and uses tcl/tk graphics.
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
PDSTRIP is a hydrodynamic strip code for seakeeping. It computes ship motions for monohulls including sailing boats. PDSTRIP has been abandoned by its initiators, who do not wish to be contacted with use questions. The position of maintainer is vacant.
Sources of the simulations package for the Planck satellite project
This project contains the sources for the simulation codes used within ESA's Planck mission (http://sci.esa.int/planck/)
Tools and programs I have written for various purposes and those used in it.
A scientific plotting library for C/Fortran built on cairo
A 2D scientific plotting library built on cairo. Provides uniform output to pdf, ps, png and X-Windows. Written in C with no dependencies (other than cairo) as a direct replacement for PGPLOT.
This project aims to develop teaching aids for group theory in chemistry. It consists of two parts: SyMM a backend which determines the point group of a molecule and glSyMM which allows one to display the symmetry opperations on a molecule using OpenGL.
BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
MW and RF Harmonic Balance Simulator
MCF - Models Construct Framework
Open source development for FluidEarth (https://fluidearth.net/default.aspx) which supports the OpenMI Standard (http://openmi.sourceforge.net) Here are OpenMI Association approved applications.
numerical simulation code solving transport equations in 2D
fosite is a generic framework for the numerical solution of 2D hyperbolic conservation laws in generalized orthogonal coordinates. Its main purpose is the simulation of compressible flows with either rotational symmetry or slab symmetry. The underlying numerical solution method belongs to the family of unsplit conservative finite volume TVD schemes. The method is 2nd order accurate in space and uses high order Runge-Kutta and multistep schemes for time evolution. In addition to the pure advection code several source terms have been implemented including viscous diffusion and gravitational acceleration. Due to its modular object-oriented design it is very easy to add new features to the code.
Performance Timing Tools
Ichnaea is a set of tools that aid in collecting and tracking parameters and timings for parallel applications. The Performance Modelling Timing Module, PMTM, is a library that wraps system timing calls to abstract these from code developers and aid portability. It also has functionality to store parameters and print those, along with the timing information to a comma separated variable file. The Performance Modelling Analysis Tool, PMAT, is coming soon. This is able to read in and store the outputs from PMTM and produce some graphs based on user-defined criteria. Documentation found in the Wiki. As of March 2015, main development has been switched to the UK Mini-Application Consortium Github page. Work on PMTM from the unreleased version 2.6.0 can be found here: https://github.com/UK-MAC/PMTM Work on PMAT version 3 will be commencing shortly here: https://github.com/UK-MAC/PMAT Tarballs of releases will continue to be available here.
MagCAD is a set of tools for reconstructing 3D meshes from medical images such as MRI scans and ultra-sound. Resulting meshes are designed for CFD and visualisation
The Optimized Sparse Kernel Interface (OSKI) Library provides automatically tuned sparse matrix kernels, for use by solver libraries and applications. OSKI is part of the BeBOP project on performance tuning and analysis at U.C. Berkeley. (Go Bears!)
Application Integration for HPC Multiphysics
The OpenMultiphysics project is the home for community-driven development of application integration technologies designed to aid in the design and implementation of multiphysics simulation capabilities. Design and development in this project is driven by the Consortium for Open Multiphysics. Feel free to visit us at our GitHub site as well: https://github.com/IllinoisRocstar/IMPACT
Massively parallel software for quantum chemistry calculations
Scalable Molecular Analysis Solver for High-performance computing systems (SMASH) is open-source software for massively parallel quantum chemistry calculations. It is currently capable of energy, analytical gradient, and geometry optimization calculations of Hartree-Fock theory and Density Functional Theory (DFT), and energy calculations of Second-order Moller-Plesset (MP2) perturbation theory. DFT calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
This project contains some programs that designed to process gravity data through applying of the reductions to determine the Bouguer gravity anomaly and to model the subsurface structures by forward and inverse methods as well as some programs to determine geodetic parameters from geopotential models. This project may be useful in Geodesy and Geophysics.
A 2-D inviscid flow and adjoint solver on unstructured triangular grids. It makes use of a vertex-centroid finite volume scheme which is second order accurate. The adjoint solver is developed using the automatic differentiation tool called TAPENADE. Code has been moved to https://github.com/cpraveen/euler2d
Quantum transport for tight-binding and ab initio Hamiltonians
ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes.