Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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!
GridLAB-D is a new power system simulation tool that provides valuable information to users who design and operate electric power transmission and distribution systems, and to utilities that wish to take advantage of the latest smart grid technology. It incorporates advanced modeling techniques with high-performance algorithms to deliver the latest in end-use load modeling technology integrated with three-phase unbalanced power flow, and retail market systems. Historically, the inability to effectively model and evaluate smart grid technologies has been a barrier to adoption; GridLAB-D is designed to address this problem. User documentation can be found at: http://gridlab-d.shoutwiki.com/wiki/Quick_links The source code is available from GitHub. See https://github.com/gridlab-d/gridlab-d. Issue tracking is handled by GitHub. See https://github.com/gridlab-d/gridlab-d/issues.
A Portable General-Purpose Computer Algebra System
REDUCE is an interactive system for general algebraic computations of interest to mathematicians, scientists and engineers. It can be used interactively for simple calculations but also provides a flexible and expressive user programming language. The development of the REDUCE computer algebra system was started in the 1960s by Anthony C. Hearn. Since then, many scientists from all over the world have contributed to its development. REDUCE has a long and distinguished place in the history of computer algebra systems. Other systems that address some of the same issues but sometimes with rather different emphasis are Axiom, Derive, Macsyma (Maxima), Maple, Mathematica and MuPAD. REDUCE primarily runs on either Portable Standard Lisp (PSL) or Codemist Standard Lisp (CSL), both of which are included in the SourceForge distribution. By modern standards, REDUCE is a surprisingly small and compact application, which runs well on all major operating systems.
This is an implementation of post-process phonon analyzer, which calculates crystal phonon properties from input information calculated by external codes, e.g., first-principles calculation code.
Trio_U Software for Thermohydraulics Release notes: https://sourceforge.net/p/trust-platform/code/ci/master/tree/RELEASE_NOTES Reference Manual: https://sourceforge.net/p/trust-platform/code/ci/master/tree/doc/TRUST/TRUST_Reference_Manual.pdf Quick Guide : https://sourceforge.net/projects/trust-platform/files/TRUST_Generic_Guide.pdf Tutorial : https://sourceforge.net/projects/trust-platform/files/TRUST_tutorial.pdf See also: TrioCFD, triou, plateforme http://www-trio-u.cea.fr
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.
Spglib is a C-library written for finding crystal symmetry. Symmetry operation, space group, etc, can be obtained using this symmetry finder. It is easy to include this library to your code. For more information, See, http://spglib.sourceforge.net/
einspline is a C library for the creation and evaluation of interpolating cubic basis splines (B-splines) in 1D, 2D, and 3D. It supports both uniform and nonuniform meshes, single and double precision, and real and complex data.
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.
Virtual X-Ray Imaging Library on GPU
gVirtualXRay is a C++ library to simulate X-ray imaging. It is based on the Beer-Lambert law to compute the absorption of light (i.e. photons) by 3D objects (here polygon meshes). It is implemented on the graphics processing unit (GPU) using the OpenGL Shading Language (GLSL).
Optical Design Software for simulating systems of lenses, prisms, etc.
Design optical systems comprised of light sources, lenses, apertures, prisms, imagers, photometers, etc. Simulate light through the system and compute images and intensities at various locations in the design.
Alpha, Beta, Gamma measurements and Nuclide exposure
RadiationHelper is a data analysis tool for : 1. gross alpha and beta radiation measurement and detector calibration using experimental data (counts acquired by alpha-beta devices). 2. gamma spectroscopy measurements and detector calibration using experimental data (spectra acquired by acquisition software such as Assayer, Gamma Vision, Maestro) 3. gross alpha,beta, gamma detector efficiencies and gamma peak efficiency can be theoretical computed using Monte-Carlo simulation technique for radiation transport (based on EGSnrc toolkit) 4.dose assessment in human body exposed to radiations from nuclides in several common scenarios such as air exposure, water submersion, ground surface, internal ingestion or inhalation. 5. quick dosimetry and shielding computations. It is platform independent (written entirely in Java). A short user manual can be found in docs folder. Source code (for core packages developed by myself) included in jar files!
console to calculate airflow around an airfoil based on RANS approach
RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. In addition, the coupling between airflow and heat transfer and the effect of surface roughness on near wall flow are considered by this program, it can be used for engineering calculation of the friction drag and heat transfer coefficients on airfoil surface. RANSFOIL reads airfoil coordinates from a 1D XYZ file as only input, then outputs grid and solution files in 2D PLOT3D format to record grid coordinates and airflow data and a report file to show aerodynamic parameters.
Diffraction Contrast Tomography analysis code
Diffraction contrast tomography code base, as developed by researchers from beamline ID19 of the ESRF, Grenoble, France, and Manchester University, UK.
Patient dose from medical X-ray and other sources
DHPRE software uses Geant4 simulation toolkit for computing organ doses, effective dose and lifetime atributable cancer risk for humans exposed to external radiation field. It is mainly used for patients undergoing X-ray examinations such as radiography, mammography, dental panoramic and CT but can be used for any kind of radiations. INTERFACE is a small program to compute the correction to dosimeter reading when used in conditions other than the calibration ones. This package does not contain all data required to run, i.e. does not contain GEANT4 libraries and GEANT4 nuclear data (for saving space). It does contain however the X-Ray spectrum data. Read README.txt me inside Build folder for how to fix it. Source code included.
MRI Multiple Echo T2 Analysis
Users load multiecho MRI data and draw ROIs. AnalyzeNNLS creates a T2 distribution from the averaged decay data. Regional fractions and geometric T2 times can be determined. Please reference: Bjarnason TA, Mitchell JR. JMR 206:200-4 (2010). Temporal Phase Correction included in version 2.5. If you use this functionality, please reference: Bjarnason TA, Laule C, Bluman J, Kozlowski P. JMR 232:22-31 (2013).
Axiom is a computer algebra system. It consists of an interpreter, a compiler and a library of algorithms. Axiom is an excellent research platform as well as a useful tool for scientific programming.
QC tests and patient doses from radiodiagnostic XRay equipment
This software performs various quality control tests for XRay devices used in radiography, mammography, fluoroscopy and CT such as: HVL/tube filtration, high voltage, exposure time, tube output, MTF calculations, film sensitometry, AEC devices and more. It also compute patient doses using an external program based on the GEANT4 simulation toolkit. This program is found here: https://sourceforge.net/projects/doseinhumanbody/ Read the "README" file for details. Source code and documentation included.
Peak and global efficiency of radiation source-detector equipment
This software uses Geant4 simulation toolkit for computing detector efficiency (detector response or calibration factor) in terms of peak efficiency and global (gross) efficiency. It is designed mainly for gamma detectors (NaI or HpGe) but can be extended for beta or any other radiation type. Radiation source can be frontal beam, point source, Sarpagan baker (cylinder) and Marinelli baker. Due to the nature of Monte Carlo simulation technique, all geometries involved must be well known for accurate results! Can be used along with RadiationHelper (Beta_Gamma_MC module with Geant4 checkbox selected) but make sure that inside RadiationHelper folder there is MonteCarloPath.txt file (if does not exist, manually create it) having the first line pointing to the path of detector.exe folder (e.g. D:\\DetectorCalibration\\Build) and, if on Linux, next lines pointing to the Geant4 data. RadiationHelper is found here: https://sourceforge.net/projects/radiationhelper/ Source code included
VAPOR is the Visualization and Analysis Platform for Ocean, atmosphere, and solar Research
Grin is a set of tools for solving 2D elliptic equations using boundary elements (Green's functions)