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.
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
qrupdate is a Fortran library for fast updates of QR and Cholesky decompositions.
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.
AUTO is a publicly available software for continuation and bifurcation problems in ordinary differential equations originally written in 1980 and widely used in the dynamical systems community.
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.
This will be a place to release tools that have not yet been added to SciPy (or will not be added for whatever reason). Currently an interface to ImageMagick is here.
Eclim is a set of eclipse and vim plugins to integrate the two projects.
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.
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
Intellect Modeling Kit ≠AI Intellect-based apps development suite
Intellect Modeling Kit is an alternative to traditional Artificial Intelligence, intended to build apps assisting human intellect on the steps of its activity: * Observation * Producing propositions based on knowledge * Elimination of impossible propositions * Selection and verification of the most appropriate propositions * Memorizing - converting data to information and new knowledge item creation * Abstraction finding – building artificial objects representing group of real objects, featuring typical signs of group Any human knowledge written and spoken can be uploaded to IMK in a straight way by any expert not familiar with software coding. The IMK components are designed to create ready-to-use software application using simple text files provided by people. IMK accepts human knowledge and develops new knowledge together with people. The activity of IMK could be verified by human expert on every stage. IMK assists intellectual activity, but does not replace us.
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.
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.
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.
The Ocean Land Atmosphere Model (OLAM) is a new global general circulation/climate prediction model that will allow to “nest down” to any desired resolution using a flexible mesh refinement technique that works on either triangular or hexagonal g
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.
Build and run environment for HPC codes on Windows
WHPC is a software bundle representing self-contained environment to build and run high performance numerically intensive sequential and parallel codes on Windows.
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.
Two dimensional (2D) fine mesh finite element (FE) grid editing system. Includes constrained Delaunay triangulation, and automated grid resolution changes based on local attributes. Win32 and Motif GUIs. Mature application, now going open source.
A library collection of FORTRAN 90 subroutines and functions for the handling of raster images and for remote sensing applications. The 'fwtools' name evolved from 'framework tools'.
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.