Search Results for "open-shell"
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Showing 47 open source projects for "open-shell"
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Yggdrasil
Collection of builder repositories for BinaryBuilder.jl
This repository contains recipes for building binaries for Julia packages using BinaryBuilder.jl. -
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Elmer finite element software
Open source finite element software for multiphysical problems
Elmer is a finite element software for numerical solution of partial differential equations and multiphysical problems. It includes models of structural mechanics, fluid dynamics, heat transfer, electromagnetics etc. Elmer home is www.csc.fi/elmer -
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HEALPix
Data Analysis, Simulations and Visualization on the Sphere
Software for pixelization, hierarchical indexation, synthesis, analysis, and visualization of data on the sphere. Please acknowledge HEALPix by quoting the web page http://healpix.sourceforge.net (or https://healpix.sourceforge.io) and publication: K.M. Gorski et al., 2005, Ap.J., 622, p.759 Full software documentation available at https://healpix.sourceforge.io/documentation.php Wiki Pages: https://sourceforge.net/p/healpix/wiki/Home Exchanging Data with HEALPix (in FITS files):... -
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PLplot
Cross-platform, scientific graphics plotting library
PLplot is a cross-platform, scientific graphics plotting library that supports math symbols and human languages (via UTF-8 user input strings); plot capabilities for multiple non-interactive plot file formats and in multiple interactive environments; and bindings for multiple computer languages. -
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atomes
Analysis, visualization, edition of 3D atomistic models
atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. atomes is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. -
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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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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.
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giza
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. -
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OpenFrames
Real-time interactive 3D graphics API for scientific simulations
OpenFrames has moved its primary development repository to GitHub! Everything else will follow. Get it at https://github.com/ravidavi/OpenFrames/wiki OpenFrames is an Application Programming Interface (API) that allows developers to provides the ability to add interactive 3D graphics to any scientific simulation. A simulation developer can use OpenFrames to specify what they want to visualize, without having to know any details of computer graphics programming. OpenFrames is currently... -
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OzGIS free open-source mapping system
Analysis and display of Census, business, government attribute data
OzGIS is an extensive mapping system for the analysis and display of geographically referenced data. Map data are downloaded from Census bureaux and map agencies or extracted from your own databases. The system can be used to to support management decisions associated with, for example, government planning, marketing, sales, site and personnel location, advertising and research. Systems for Windows, Mac and Ubuntu, source code, sample data files and manuals are included. DOWNLOAD to... -
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Now maintained at github.com/spacepy/spacepy 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.
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This site hosts the source code for C++ version of the Broker for SBW, NOM module, advanced simulation suite, analysis applications and model editors.
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MDPP
The Biozentrum Micrograph Data Processing Program (MDPP)
MDPP is an image processing package designed for micrograph data. It contains program to process data in a number of ways including many averaging methods, statistical methods and reconstruction schemes. The programs are not limited to micrograph data of course, but can be applied to images of all types. -
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Freemat is an interpreted, matrix-oriented development environment for engineering and scientific applications, similar to the commercial package MATLAB. Freemat provides visualization, image manipulation, and plotting as well as parallel programming.
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ThanDxflib is a library, written in Fortran 77, which makes the creation of .dxf drawings easy. The dxf files may be read by any CAD program.
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Analysis software for Nbody/SPH or SPH simulations (e.g. performed with Gadget II). See http://sourceforge.net/apps/wordpress/hyplot/about and http://sourceforge.net/apps/trac/hyplot/wiki for more information.
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gMol
gMol molecular graphics
We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces. -
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A collection of Fortran interfaces to the most common Open Source GIS libraries, plus some more Fortran-specific tools.
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ActiveGEM contains a set of perl/Tk graphical interfaces for the GEMPAK meteorological diagnostics and plotting package. These research-oriented interfaces provide easy access to low-level GEMPAK functions and allow for the maximum possible flexibility.
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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
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Runge
Runge is an Interactive Solver for Systems of Differential Equations
...When it needs to compute derivatives (Jacobian matrix, for example) it does that analytically, i.e. without using numerical methods. It's portable. It works on Windows and Linux 32 and 64 bit and Mac OS X 64 bit. It's open. It allows you to implement and embed your own algorithms (aka "solvers"). It's easy to use. It allows to export results to MS Excel and MATLAB. It's multilingual. It currently supports Englis and Russian languages. It's free. It's distributed under the Boost Software License. -
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A High-Order Multi-Variate Approximation Scheme for Arbitrary Data Sets, C implementation of the method described in http://web.mit.edu/qiqi/www/paper/interpolation.pdf, with Python and Fortran interfaces.
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FortGrapher
InLine Plot with Fortran
This is a Fortran Module that merges the performance of the computation of the Fortran with the power of a Python Package called Matplotlib plot the data computed by your fortran code. It allows you to divide you data into groups of datafiles and each group is stored on its own directory. It allows you to create different types of plotting files such as, PNG file for each datafile and PDF and MPEG files for each group of datafiles. It works with FORMATTED and UNFORMATTED fortran...
