Search Results for "open-shell" - Page 2
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Showing 47 open source projects for "open-shell"
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GeoSolid3D produces 3D geologic solid models, incorporated into the aquifer and confining units of the USGS ground water models, Modflow and Sutra. Uses GIS data of DEMs, geologic maps, and maps of river, watershed, recharge, and aquifer parameters.
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The program grib2v5d converts the content of a grib file (a format used for exchanging meteorological model fields) into a file that can be viewed with Vis5d, a popular program for 3-D visualisation of meteorological fields.
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Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
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Molecular Graphics and Dynamics. Molecular model builder. Part of the Ascalaph Designer http://sourceforge.net/projects/asc-designer/ project. Windows & Linux.
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PsiLAB is an environment for scientific research, numerical calculations and generic data analysis. It's written in the functional language O'CaML.
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F.EN.I.A. is a Fortran 95 library providing rich graphical output of 2D and 3D scientific data in the SVG and VTK (.vtp) formats. The output can be viewed with cross-platform, open-source viewers like Inkscape, Firefox and Paraview.
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ProgPorts is an administrative and easy user interface to hundreds of proteomics, molecular dynamics, and protein crystallography programs. It is a hybrid of the prog/setup system, developed at Johns Hopkins University, and GNU-Darwin ports system.
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Free cross-platform viewer for seismic data in SEG-Y format (Revision 1 draft 6 and its modifications).
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FRIDA (flexible rapid interactive data analysis) is a generic program for manipulating, fitting, and plotting x,z,y data. It is primarily aimed at spectral analysis, especially in neutron scattering. Note: project has moved away from sf.net.
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g2 is an easy to use, portable and powerful 2D graphics library. It provides a comprehensive set of functions for simultaneous generation of graphical output on different types of devices.
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A package of programs for performing extended Hueckel calculations on molecules and solids and visualizing the results. Visualization functionality for some quantum packages (ADF and LMTO) is also provided.
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This library is a Fortran 95 gnuplot interface for some Unix like OS'es. This provides some routines that enables direct access of a child gnuplot session from a Fortran 95 program. You will need a copy of fortranposix to make this work.
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The aim of this project is to translate the geostatistical BMELib Matlab Toolbox (http://www.unc.edu/depts/case/BMELIB/) into Python.
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The fst2v5d package converts data stored in the Canadian RPN Standard File (FST) format into Vis5D format. FST files, commonly used to store meteorological data, are scanned by fst2v5d to generate both 4D fields and independent topography input files.
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Computational modelling is a interdisciplinary field spanning many techniques and programming languages. AgenTools is a project dedicated to establishing increased modularity in scientific computing packages and a portal linking to other existing project
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The DUNS (Diagonalized Upwind Navier-Stokes)code is a 2D/3D, structured, multi-block, multi-species,reacting, steady/unsteady, Navier Stokes fluid dynamics code with q-omega turbulence model. It currently uses a diagonalized ADI procedure with upwind diff
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The purpose of SNX is to have a modular series of components that report back to a central repository and 'AI' for pattern recognition and anomoly detection. This is to help with IDS systems, and to move to the next generation of security.
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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.
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enhancements and development for the Vis5d scientific visualization tool, a program to display volumetric datasets in 3+ dimensions.
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gcad is a 2D and 3D Computer Aided Design (CAD) program written with the GTK+ library with the possibility to read and write dxf and svg file formats.
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This script fills in a two dimensional surface with an unbroken, non-overlapping path. The path direction is random, so one can imaging a chess board filled with dominos, with the constraint that the layout of the dominos is complete (board is filled) an
