Search Results for "gnu science" - Page 7
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Showing 626 open source projects for "gnu science"
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LOOS
Analyze molecular simulation data
LOOS is a light-weight object oriented software library for creating new tools for analyzing molecular simulation data, written in C++. The main design goal is to allow casual programmers to easily implement new analysis methods. THIS PAGE IS NO LONGER UPDATED. Please see https://github.com/GrossfieldLab/loos for all recent developments -
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tranci
Calculate electronic properties of transition metal atoms
Computational package to study transition metal atoms in surfaces, focusing on the effects of crystal field, spin orbit coupling and electronic interactions. Inputs are written in an user friendly interface, and creates a pdf and graphics with the results. -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a toolkit for numerical simulation of distinguishable particles. It can solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. External electric fields can be added within the semiclassical dipole approximation, thus WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including... -
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GMES
GMES is a free Python package for FDTD electromagnetic simulations.
GMES is a free finite-difference time-domain (FDTD) simulation Python package developed at GIST to model photonic devices. Its features include simulation in 1D, 2D, and 3D Cartesian coordinates, distributed memory parallelism on any system supporting the MPI standard, portable to any Unix-like system, variuos dispersive ε(ω) models, CPML absorbing boundaries and/or Bloch-periodic boundary conditions, and arbitrary material and source distributions. GMES officially stands for GIST... -
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FAST Simulations
An Open source Analysis and SImulation Toolbox for Fuel Cells
FAST is an Analysis and Simulation Toolbox (FAST) for Fuel Cells (FC) FAST-FC is the doctorate work of David B. Harvey and was developed with support from the U.S. DOE, Ballard, and Queen's University. Derivative works of FAST-FC include FC-APOLLO which is a forked branch of this project intended to capture the code state at the exit of the funded DOE project. FAST-FC is the open and active community branch. FAST-FC is developed and maintained by the original creator and... -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,... -
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Python library to perform electronic structure calculations with tight binding models in different types of lattices and different dimensionalities. It allows to include different terms in the Hamiltonian as sublattice, exchange field or magnetic field. Provides functions to calculate different Green functions, band structure, density of states, transport using Landauer formula, topological invariants, etc.
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CPPLapack is a c++ class wrapper for BLAS, LAPACK and PARDISO. Its special features are the followings. [1]User-friendly interface [2]Hi-speed matrix calculations using BLAS and LAPACK [3]Minimized number of copy times using Smart Temporary system
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OPar
OPen ARchitecture PARallel PARticle code
NOTICE: The current version of OPar is hosted on GitHub https://github.com/holgerschmitz/Opar This repository on Sourceforge is no longer maintained! OPar is an open architecture Particle-In-Cell (PIC) code for plasma simulations. The code is based on the Schnek framework. -
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**we moved to github** https://github.com/gimli-org/gimli Geophysical Inversion and Modeling Library
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This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a Linux cluster with MPI.
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SPIW - Scanning Probe Image Wizard
Scanning Probe Image Wizard - MATLAB Toolbox
SPIW is a MATLAB toolbox, for automated processing of scanning probe microscope images. Tools are applicable to all SPM images, but the main focus is on images with atomic or molecular resolution. SPIW is primarily a MATLAB toolbox with functions designed to be called in a user's own script. SPIW also has a very basic GUI for browsing and exporting images. For information on SPIW's performance see our publication ( http://dx.doi.org/10.1063/1.4827076 ) in the Review of Scientific... -
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LateXSL is a set of XSLT stylesheets that translates LaTeX embedded in a Web page into HTML, so that math typed directly into a web page as LaTeX is displayed as math in a viewer's browser. The stylesheets may be applied in the browser or by a server.
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An Octave / LUA scripting language project dedicated to modeling electric motors inside the "Finite Element Method Magnetics" (FEMM) 2-D simulation program. Created to design a motor that fits inside a car wheel, experimenting in many degrees of freedo
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A spectral element method for 2D wave propagation and fracture dynamics, with emphasis on computational seismology and earthquake source dynamics.
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STARucn
Monte-Carlo simulation for ultra-cold neutrons
STARucn (Simulation of Transmission, Absorption and Reflection of ultracold neutrons) is a Monte-Carlo software designed to simulate experimental setups and guides for ultra cold neutrons. It relies heavily on CERN's ROOT packages. Developing team : Benoit Clément, LPSC/UJF Damien Roulier, ILL/UJF -
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Quantum walk library
Toolkit for simulations of quantum walks on graphs
Quantum walk library is set of tools for simulations of quantum walks (for chiral or achiral particles) on graphs based on Zarja library. -
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ASEP simulation library
Simulation library for SSEP, ASEP or TASEP simulations
ASEP simulation library is specialized for simulations of Asymmetric Simple Exclusion Processes (ASEP) and its mutations like SSEP or TASEP based on a graph. It is consisted of agents, models, timers and graphs that forms united modelling enviroment ready for computer cluster use - all based on Zarja library. -
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A library contaning amorphous track based algorithms and auxiliary routines for the prediction of detector response and radiobiological cross-sections in heavy charged particle beams.
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PNGwriter
Easy plotting of images pixel by pixel!
Frustrated because you want to output a high-quality image from your C++ program but haven't found an easy, direct and fast way? Try PNGwriter. Written with scientific simulations in mind, PNGwriter allows you to plot to a PNG image pixel by pixel. * * *README* * * This is the last PNGwriter release that will be hosted on SourceForge.net. Please use the following site: https://github.com/pngwriter/pngwriter/releases to find all versions of PNGwriter including and later than... -
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LaserCalc
Simulating optical systems
LaserCalc is an Open Source wxWidgets application for the calculation of optical beam paths and laser resonators based on Gaussian beam matrix optics. In addition beam paths can be optimized to match given beam parameters (mode matching). -
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rarFit
Maximum Likelihood fitting programme using ROOT and RooFit
A maximum likelihood fitting package based on ROOT/RooFit for HEP. The fitting is driven by a text file and includes the following main options: 1) fitting, plotting and extraction of PDFs; 2) fitting of maximum likelihood models; 3) creation of projection and sPlot plots; 4) scanning about maximum likelihood minima; 5) combination of maximum likelihood curves with systematic errors for extraction of significance and combined errors; 6) toy studies; 7) means and pulls on fitted... -
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A toolkit in C++ and python to process both experimental and simulation data of colloidal particles. Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement...
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Libraries for integration of atmospheric trajectories. Includes a basic trajectory integrator, contour advection codes and semi-Lagrangian tracer simulations.
