Search Results for "open-shell" - Page 17
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Showing 2380 open source projects for "open-shell"
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Iterative Solvers
Iterative algorithms for solving linear systems, eigensystems
IterativeSolvers is a Julia package that provides iterative algorithms for solving linear systems, eigensystems, and singular value problems. -
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Charmol
Program for molecular graphics
Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) -... -
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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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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other... -
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dxf2gcode
DXF2GCODE: converting 2D dxf drawings to CNC machine compatible G-Code
DXF2GCODE is a tool for converting 2D (dxf, pdf, ps) drawings to CNC machine compatible GCode. Windows, Linux, and Mac support by using python scripting language. -
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Viking GPS data editor and analyzer
Viking is a free/open source program to manage GPS data
Viking is a free/open source program to manage GPS data. You can import, plot and create tracks, routes and waypoints, show OSM, Bing Aerial and other maps, geotag images, create routes using OSRM, see real-time GPS position (not in Windows), make maps using Mapnik (not in Windows), control items, etc. It is written in mostly in C (with some C++) & the GTK+3 toolkit. -
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Asymptote
2D & 3D TeX-Aware Vector Graphics Language
Asymptote is a powerful descriptive vector graphics language for technical drawing, inspired by MetaPost but with an improved C++-like syntax. Asymptote provides for figures the same high-quality typesetting that LaTeX does for scientific text. -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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PeriodicTable.jl
Periodic Table for Julians
A very simple package for accessing elements in the Periodic Table. PeriodicTable.jl provides a Julia interface to a small database of element properties for all of the elements in the periodic table. In particular PeriodicTable exports a global variable called elements, which is a collection of Element data structures. -
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Euler Math Toolbox
Numerical and Symbolic Math Tool
Euler is a powerful all-in-one numerical software and includes Maxima for seamless symbolic computations. Euler supports Latex for math display, Povray for photo-realistic 3D scenes, Python, Matplotlib and C for scripting, and contains a full programming language. Features include libraries for numerical algorithms, optimization, plotting in 2D and 3D, graphics export, a complete help system, tutorials and examples. Euler runs in Windows natively, or in Linux via Wine. It is completely... -
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The Timeline Project
Cross-platform app for displaying and navigating events on a timeline.
The Timeline Project aims to create a free, cross-platform application for displaying and navigating events on a timeline. -
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GeoTools, the Java GIS toolkit
Toolkit for working with and mapping geospatial data
GeoTools is an open source (LGPL) Java code library which provides standards compliant methods for the manipulation of geospatial data. GeoTools is an Open Source Geospatial Foundation project. The GeoTools library data structures are based on Open Geospatial Consortium (OGC) specifications. -
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GLScene
GLScene Engine for Delphi & C++Builder VCL Windows 32/64
GLScene is an OpenGL based 3D library for Delphi, C++Builder and Lazarus. It provides visual components and objects allowing description and rendering 3D scenes in graphic applications. Update of newer versions of the trunk has been moved to https://github.com/glscene -
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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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GLE is a graphics scripting language designed for creating publication quality graphs, plots, diagrams, figures, and slides. Text can be formatted with LaTeX/TeX markup. Its output formats include EPS, PS, PDF, JPEG, and PNG. GLE can operate as either a command line or GUI application.
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Panorama Tools
The cross-platform library behind the Hugin photo stitcher
The cross-platform library behind the Hugin photo stitcher -
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SMILI
Scientific Visualisation Made Easy
The Simple Medical Imaging Library Interface (SMILI), pronounced 'smilie', is an open-source, light-weight and easy-to-use medical imaging viewer and library for all major operating systems. The main sMILX application features for viewing n-D images, vector images, DICOMs, anonymizing, shape analysis and models/surfaces with easy drag and drop functions. It also features a number of standard processing algorithms for smoothing, thresholding, masking etc. images and models, both with graphical user interfaces and/or via the command-line. ... -
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JaxoDraw
JaxoDraw: Feynman Diagrams made easy!
JaxoDraw is a tool to generate Feynman diagrams in a mouse click-and-drag fashion. Graphs can be exported to a variety of graphics formats and arbitrary latex code can be used for labels to produce high-quality publishing-style figures. -
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MathGL
A library for scientific data visualization
A free cross-platform library of fast C++ routines for the plotting of up to 3-ranged data. It can export to bitmap and vector EPS/SVG files. There are window interfaces (GLUT/FLTK/Qt) and console tools. MathGL can be used from C/Fortran/Python/Octav/Lua -
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NumeRe
Framework for numerical computations, data analysis and visualisation
Curve fitting | Data analysis | Plotting | Matrix operations | FFT | Extensible framework | Multiple file formats | Programmable | Open source | Free for everyone NumeRe: Framework for Numerical Computation is a numerical framework written for Microsoft Windows(R) and released under the GNU GPL v3 for solving and visualizing mathematical and physical problems numerically. Keep simple things simple: You want to plot a sine function? Just enter 'plot sin(x)'. -
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Teem
Tools to process and visualize scientific data and images
Teem is a set of C libraries for manipulation, measurement, and visualization of structured scientific data. Includes N-dimensional image I/O and processing, volume rendering, diffusion tensor processing, and more. Latest code via git clone http://git.code.sf.net/p/teem/teem.git . Join us at https://discord.gg/xBBqZGXkF7 -
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Common Image Generator Interface (CIGI)
Industry standard communication with compliant image generators.
Software libraries and tools designed for implementation and testing of the Common Image Generator Interface (CIGI), an interface for communication between an image generator (IG) and host device in simulations. -
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MathMod
MathMod is a mathematical modeling software
...MathMod allows to plot 3D mathematical surfaces, described by implicit or parametric equations, and offers a very large database of model samples that can be generated with it. It's Free and Open Source. Change-log for MathMod-13.0 (15/11/2025) 1) Scripts generator to add thickness to iso/parametric surfaces 2) Undo/Redo commands for navigating through previous scripts 3) New scripts, Bug-fixes, code optimization and documentation update For a complete list of changes made during the course of development, please visit: https://github.com/users/parisolab/projects/2 -
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TabuVis
An Interactive Visualisation for Tabular Data
TabuVis is a comprehensive visual analysis tool that provides a flexible, customizable and interactive visualization for tabular (or multidimensional) data. It utilizes scatter-plot visualization approach to provide comprehensive and interactive views for different attribute mappings. It provides single scatter-plot and multiple scatter-plots together with Map (GIS) capability. The project is available at: http://staff.scem.uws.edu.au/~vinh/projects/TabuVis/ Related...
