gputils is a collection of tools for Microchip PIC microcontrollers. Its goal is to be fully compatible with Microchip's tools, MPASM, MPLINK, and MPLIB.
XDrawChem is an application for chemistry drawing and analysis.
XDrawChem is an application for drawing and analyzing chemical structures and reactions. Please visit the website for full details. Download source and binary releases here, and clone the source from GitHub at the external link above.
Software for electromagnetic simulation
MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them.
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.
Open-Source Multiphysics FEA (FEM) Package
CalculiX Binaries for MS Windows, made with CYGWIN and ARPACK libraries. CalculiX is most popular FEA open-source package (like Code-Aster and Elmer-FEM). it is comparable in features with most known commercial packages like ANSYS, NASTRAN, Abaqus, etc. Good for structural, mechanical, thermal and fluid applications (trusses, plates, frames, shells, solid bodies). It has powerful nonlinear capabilities (including tension/compression only material like concrete) and most types of analysis (modal, thermal, buckling, coupled, etc) . See home page at http://www.dhondt.de New versions can be obtauned here: http://calculixforwin.blogspot.com/2015/05/calculix-launcher.html
ffnet is a fast and easy-to-use feed-forward neural network training solution for python. Many nice features are implemented: arbitrary network connectivity, automatic data normalization, very efficient training tools, network export to fortran code. Now ffnet has also a GUI called ffnetui.
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).
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.
Software for molecular simulations and trajectory analysis
We are proud to introduce version 3 of CAMPARI. This is a big step from version 2 primarily due to the comprehensive OpenMP (threads parallelism) support and due to significant improvements in both usability and performance. We have also again added a number of new algorithms from the recent literature, and CAMPARI of course continues to support the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of polymers of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics sampling in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at http://campari.sourceforge.net. Version 2 is no longer actively maintained but the final version continues to be available.
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.
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.
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
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.
Handling and basic analysis of hyperspectral data in R
The hsdar package contains classes and functions to manage, analyse and simulate hyperspectral data. These might be either spectrometer measurements or hyperspectral images through the interface of rgdal.
Space Science library for Python - contains superposed epoch classes, drift shell tracing, access to magnetic field models, streamline tracing, bootstrap confidence limits, time and coordinate conversions, etc.
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.
A library containing Some Useful Fortran Routines
libSUFR contains Some Useful Fortran Routines that I wrote for my own use, but that may also be useful for others. At the moment, it also "SUFRs" from the fact that Fortran module files are compiler-dependent...
zgoubi is a ray-tracing code in use for charged particle beam dynamics simulations. It can simulate beam dynamics in a large variety of machines and optical systems.
A collection of Fortran interfaces to the most common Open Source GIS libraries, plus some more Fortran-specific tools.
A library of functions for meterological diagnosis and plotting
The MetCal/SPA package provides diagnostic resources for users and developers of meteorological apps. The Shared Procedure Archive is a dynamic set of file I/O, analysis routines and APIs for third party packages accessible through the MetCal GUI.
Tools to analyse output from the stellar-evolution code ev/STARS/TWIN
The evTools package provides tools to manipulate and display output from the binary stellar-evolution code ev (also known as STARS and TWIN).
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.
Framework for Aquatic Biogeochemical Models
The Framework for Aquatic Biogeochemical Models (FABM): a Fortran 2003 programming framework for biogeochemical models of marine and freshwater systems. FABM enables complex biogeochemical models to be developed as sets of stand-alone, process-specific modules. These can be combined at runtime to create custom-tailored models. This approach has been adopted to implement several large ecosystem models in FABM, including ERSEM (marine), and AED and PCLake (freshwater). FABM has also been used to model suspended sediment and redox chemistry. FABM has been coupled to several hydrodynamic models, including GOTM, GETM, GLM, MOM4 and MOM5. It also comes with a stand-alone box model driver. FABM uses modern software standards: it is coded in object-oriented Fortran 2003, has a build system based on CMake, and uses YAML files for configuration.
The GPU-BH tree solver is a FLASH4 module to calculate the gravitational potential using a CUDA device.