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).
CENAT in Costa Rica is enforcing the use of clustering techniques to aid scientific development. beowulf-cenat is the first step towards the implementation of cluster tools, documentation and standards for CR, including Grid on a later stage.
Mendel’s Accountant is a biologically realistic, forward-time, parallel, numerical simulation program which models genetic change within a population, as affected by mutation and selection.
record MIDI files from the PC keyboard
Record a melody as a MIDI file, right from the computer keyboard with no special hardware required. Current work on the project is aimed at music analysis. Rhythm and harmony have completed subroutines. A future version of the program will analyze MIDI files, rate their musical value, and recombine them to produce new tunes.
WHATCH’EM simulates mosquito container water temperature
WHATCH’EM simulates the highly non-linear manner in which atmospheric conditions and container characteristics determine water temperature and height, leading to results that are not always intuitive and likely not simulated by simpler empirical models. WHATCH’EM has the capacity to be utilized for other mosquitoes and other container-inhabiting arthropods.
Simple But Powerful VIM Based Build Environment With Flex & Bison
The project's main purpose is to combine the existing open source tools into a powerful development environment. This is not just a Visual Studio like development environment, but also a Notepad upgrade, which can also be used to perform common tasks in daily use.
Trek7 the original multiplayer network star trek game from the early-mid 70s. We are hoping to revive this classic (no, its not netrek/mtrek, not even close). hopefully the SF community can help port this to modern day networks.
Telluride is a Los Alamos National Laboratory project for simulation of metal casting and welding - free-surface incompressible flow with heat transfer (conductive, convective, and radiative), phase change (melting and solidification), and other physics.
Quantum Chemistry: Excited States Topology
An open source code for the analysis of electronic excited states: Natural Transition Orbitals; Detachment and Attachment Density Matrices; Quantum Chemical Charge-Transfer Descriptors. The code is intended to postprocess Gaussian 03 and 09 outputs. Important Note: A new release with better compilation option has been released on November the 9th 2015. We strongly advise to use this one since the previous option may have led to some unexpected bugs.
NexPower - a suite of tools for transient and harmonic analysis of electric power distribution and transmission systems.
This is an implementation of some POSIX functions in Fortran 90/95. Not complete, and might not even work on all Unix systems.
A Platform for Multiscale Analysis
This project is mainly focused on development of a platform suitable for multiscale analysis of solids. The initial development is aimed at coupling finite elements with atomistic models and the Arlequin method. The features are: Fully extensible, object oriented Fortran 2003 compliant Many features of the Fortran 2003 standard such as derived data types, type extension, abstract data types, generic procedures, type bound procedures are used to make a flexible and doable code. MPI parallel molecular dynamics with 3 potentials (LJ, EAM, MEAM ). This is based on WARP which is an old version of LAMMPS. To easily understand and work with molecular dynamics/mechanics with effective potentials Interface to several linear equation solvers (MKL, MUMPS, PSBLAS, SPARSKIT) An F03 interface for LAMMPS (C++ version). This is coupled to ABAQUS too. All the LAMMPS object are accessible through the F2003 interface and this is used to concurrently couple LAMMPS
CartGen is a Cartesian grid generator that can generate uniform, octree (anisotropic/nongraded), immersed boundary Cartesian grids over complex geometry. Inpute geometry is some triangulated (water-tight) surfaces.
This is a programable scientific calculator with a scripting languge for automatic random error propagation in arbitrary mathematical expressions. The language allows expressions written as a collection of sub-expressions or user defined functions.
Avian Freeware Suite (AFS) provides two things: Developers with libraries for Java Swing Widgets, XML handling, Fortran95 and Pascal; End users (Medical students, doctors, scientists) with productivity tools they can use (quizzes, XML databasing & PDF)
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.
Eclim is a set of eclipse and vim plugins to integrate the two projects.
Eiger is an electromagnetic software for frequency domain analysis. It consists of physics models for 2D and 3D electromagnetic scattering, radiation, and penetration problems. It contains Green's functions for periodic and layer medium.
qrupdate is a Fortran library for fast updates of QR and Cholesky decompositions.
Global nonlinear optimization with automatic differentiation
NOTE: Development continued at GitHub! Current version is higher than 1.2.0. GADfit is a Fortran implementation of global nonlinear curve fitting, based on a modified Levenberg-Marquardt algorithm. Global fitting refers to fitting many datasets simultaneously with some parameters shared among the datasets. The fitting procedure is very fast and accurate thanks to the use of automatic differentiation. The model curves (fitting functions) can be of essentially arbitrary complexity. This includes any nonlinear combination of elementary and special functions, single and/or double integrals, and any control flow statement allowed by the programming language. See the latest user guide under Files.
A user community and inclusive package of compatible routines available to diverse astronomy users. Application services to include astronomical lab control, image processing and amateur exploration that continues to adapt to meet a wide range of needs.
is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
A Spectral Element Solver for Structural Health Monitoring Application
A solver based on the spectral element method, used in conjunction with FEMAP, as a pre- and post- processor. It solves the elastic wave propagation problem, and the coupling with a piezoelectric materials for excitation and sensing. It is currently in 2D and has both static and transient capabilities.
The sandwich project aims to provide an extensible aircraft design toolbox.
Quantum transport code based on Gaussian03/09
Atomistic NanoTransport (ANT) comprises a series of codes designed to compute electronic quantum transport with a broad range of applicability in nanoelectronics. ANT.Gaussian (or ANT.G for brevity) relies on the popular quantum chemistry code GAUSSIAN03/09 code with which interfaces in a seamless manner. Straightforwad use of ANT.G include the computation of the zero-bias conductance (or, alternatively, the electrical current under an applied bias voltage) of a variety of nanoscale systems such as molecular bridges or simply metallic atomic contacts as those created with scanning tunneling microscope or break junction techniques. The use of ANT.G may also be naturally extended to the computation of scanning tunneling spectroscopy and the simulation of scanning tunneling and electrostatic force microscopy.