Search Results for "open-shell" - Page 2
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Showing 459 open source projects for "open-shell"
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Uranie
Uranie is CEA's uncertainty analysis platform, based on ROOT
Uranie is a sensitivity and uncertainty analysis plateform based on the ROOT framework (http://root.cern.ch) . It is developed at CEA, the French Atomic Energy Commission (http://www.cea.fr). It provides various tools for: - data analysis - sampling - statistical modeling - optimisation - sensitivity analysis - uncertainty analysis - running code on high performance computers - etc. Thanks to ROOT, it is easily scriptable in CINT (c++ like syntax) and Python. Is is... -
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AquaTerm is a Mac OS X grahics renderer. It allows command line applications written in ObjC, C, FORTRAN, Lisp, Perl or Python to display vector graphics, text and images using a simple API. Adapters for gnuplot, PGPLOT, and PLplot exists as well.
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mzMatch is a Java collection of small commandline tools specific for metabolomics MS data analysis. The tools are built on top of the PeakML core library, providing mass spectrometry specific functionality and access to the PeakML file format.
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Smart-LCD
#3B - smart LCD hardware driver controlled by an ATmega328P
#3B - smart LCD hardware driver controlled by an ATmega328P as I²C slave. Hardware, Software and Documentation. -
Enterprise-grade ITSM, for every businessFreshservice is an intuitive, AI-powered platform that helps IT, operations, and business teams deliver exceptional service without the usual complexity. Automate repetitive tasks, resolve issues faster, and provide seamless support across the organization. From managing incidents and assets to driving smarter decisions, Freshservice makes it easy to stay efficient and scale with confidence.
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using... -
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The repository was moved to GitHub https://github.com/htrb/ngraph-gtk User's manual https://htrb.github.io/ngraph-gtk/manual/ Japanese web page https://htrb.github.io/homepage/ngraph/ngraph-gtk.html
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42
Simulation for spacecraft attitude control system analysis and design
42 is a comprehensive general-purpose simulation of spacecraft attitude and orbit dynamics. Its primary purpose is to support design and validation of attitude control systems, from concept studies through integration and test. 42 accurately models multi-body spacecraft attitude dynamics (with rigid and/or flexible bodies), and both two-body and three-body orbital flight regimes, modelling environments from low Earth orbit to throughout the solar system. 42 simulates multiple spacecraft... -
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Graph Plotter
GP is a tool to analyse numerical data
GP is aimed to be simple and fast tool to analyse numerical data. It does not claim to replace all other plotters. -
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Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
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Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
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OptionMatrix
Financial Derivatives Calculator with 171+ Models (Options Calculator)
A real-time financial derivatives calculator supporting 171+ models from QuantLib, Financial Numerical Recipes in C++ and MetaOptions. Matrices of prices are created with iterating strikes and/or months. A strike control system can produce any strike. A generalized date engine can calculate re-occuring distances to any industry used expiration into the future. Spread engine with spread views. Models Supported: Black-Scholes, Merton-73, Black-76, Roll Geske Whaley, Garman KohlHagen, Jump... -
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PMViewer is a Visualization tool for Astrophysical N-Body and Hydro Simulations. GADGET-2 data support.With/Without periodical boundary conditions.Snapshot of scene in PPM and GIF formats.Flying in 3D space. Active/Passive Stereo 3D support.
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
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OpenPTV
OpenPTV
OpenPTV is an abbreviation of the open source particle tracking velocimetry. This is an open source framework, developed jointly by academic institutions, that deals primarily with the three-dimensional particle tracking experiments in complex and turbulent flows. More about 3D-PTV on Wikipedia and links from our website: http://www.openptv.net -
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The GEM 3D engine is a portable, free, open source, easy to use, software development kit which allows you to build high performance 3D graphics applications such as games.
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NuzeBot
Finds interesting news headlines.
This is a bot to finds the news you want to see. It can be made to find the news that interests you and reject everything else. View on one page the most interesting headlines from many websites. -
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Quick 2d Plot
Program for live 2d graphical representation of data streams
Quick2dPlot, or q2d for short, is an open source minimalistic plotting program designed for live 2d graphical representation of data streams. The program may be useful for plotting output of different user's application programs, especially in case when the user wants to see a plot or a number of plots during calculations or a data acquisition process. The program is command-driven and uses no widgets. -
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This project delivers Linux support (USB driver and Tools) for a Digital Signal Processor (DSP) cards of the Signal Ranger series, see http://www.softdb.com/product_dsp.shtml for details) connected to a Linux host via USB.
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libsombrero
Astronomical object/structure detection from 1D and 2D data sets.
Sombrero is a fast wavelet image processing and object detection C library for astronomical images. Sombrero is named after the "Mexican Hat" shape of the wavelet masks used in image convolution and is released under the GNU LGPL library. -
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VirtualGL
3D Without Boundaries
VirtualGL redirects 3D commands from a Unix/Linux OpenGL application onto a server-side GPU and converts the rendered 3D images into a video stream with which remote clients can interact to view and control the 3D application in real time. -
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TurboVNC
High-speed, 3D-friendly, TightVNC-compatible remote desktop software
TurboVNC is a high-performance, enterprise-quality version of VNC based on TightVNC, TigerVNC, and X.org. It contains a variant of Tight encoding that is tuned for maximum performance and compression with 3D applications (VirtualGL), video, and other image-intensive workloads. TurboVNC, in combination with VirtualGL, provides a complete solution for remotely displaying 3D applications with interactive performance. TurboVNC's high-speed encoding methods have been adopted by TigerVNC and... -
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Faum
Fast Autonomous Unsupervised Multidimiensional Classification
This is the proof-of-concept implementation of the FAUM Clustering method. This implementation was used to perform the published results and is now released in the hope that it will be useful. -
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libCEED
CEED Library: Code for Efficient Extensible Discretizations
libCEED provides fast algebra for element-based discretizations, designed for performance portability, run-time flexibility, and clean embedding in higher-level libraries and applications. It offers a C99 interface as well as bindings for Fortran, Python, Julia, and Rust. While our focus is on high-order finite elements, the approach is mostly algebraic and thus applicable to other discretizations in factored form, as explained in the user manual and API implementation portion of the... -
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GraceGTK
Draw curves, colored 2D maps with CAD capabilities
GraceGTK features: Import numerical data to draw curves or colored 2D maps with level contour lines Transform data (Fourier, wavelets), apply filters, fit curves Interactive GUI with CAD capabilities to add drawings Commands interpreter to automate work More details in Files/doc/GraceGTK.pdf file GraceGTK was forked from grace-5.1.22 in 2009. The enhanced commands interpreter has an ascending compatibility with old Grace scripts. -
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linSmith
Smith chart intended for educational use
A Smith charting program. You can enter either discrete components or transmission lines, see the results on screen and/or generate Postscript output. Component values can be changed numerically or using scrollbars. -
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GXSM
Scanning Probe Microscopy Controller and Data Visualization Software
...High-Speed external PAC-PLL hardware option with digital DSP link. Based on several hardware options it supports a commercially available DSP hardware and provided also Open Source Code for all the low level signal processing tasks and instrument controls in a most flexible and adaptable manner. All latest software is available via SVN only or Live Demo/Install CD: http://www.ventiotec.de/linux/GXSM-Linux.iso
