Showing 18 open source projects for "calculate"

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  • 1
    miepython

    miepython

    Mie scattering of light by perfect spheres

    ...Moreover, a set of angles can be given to calculate the scattering for a sphere at each of those angles.
    Downloads: 0 This Week
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  • 2
    VoronoiFVM.jl

    VoronoiFVM.jl

    Solution of nonlinear multiphysics partial differential equations

    Solver for coupled nonlinear partial differential equations (elliptic-parabolic conservation laws) based on the Voronoi finite volume method. It uses automatic differentiation via ForwardDiff.jl and DiffResults.jl to evaluate user functions along with their jacobians and calculate derivatives of solutions with respect to their parameters.
    Downloads: 0 This Week
    Last Update:
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  • 3
    FiniteDifferences.jl

    FiniteDifferences.jl

    High accuracy derivatives, estimated via numerical finite differences

    FiniteDifferences.jl estimates derivatives with finite differences. See also the Python package FDM. FiniteDiff.jl and FiniteDifferences.jl are similar libraries: both calculate approximate derivatives numerically. You should definitely use one or the other, rather than the legacy Calculus.jl finite differencing, or reimplementing it yourself. At some point in the future, they might merge, or one might depend on the other.
    Downloads: 0 This Week
    Last Update:
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  • 4
    Facyt-quimicomp
    Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
    Downloads: 38 This Week
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  • 5
    DeepH-pack

    DeepH-pack

    Deep neural networks for density functional theory Hamiltonian

    DeepH-pack is the official implementation of the DeepH (Deep Hamiltonian) method described in the paper Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation and in the Research Briefing. DeepH-pack supports DFT results made by ABACUS, OpenMX, FHI-aims or SIESTA and will support HONPAS.
    Downloads: 0 This Week
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  • 6
    GPlates

    GPlates

    Interactive visualization of plate tectonics.

    GPlates is a plate-tectonics program. Manipulate reconstructions of geological and paleo-geographic features through geological time. Interactively visualize vector, raster and volume data. PyGPlates is the GPlates Python library. Get fine-grained access to GPlates functionality in your Python scripts.
    Downloads: 10 This Week
    Last Update:
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  • 7

    Toxmatch

    Exploring chemical similarity

    Toxmatch is a flexible and user-friendly open-source software application that encodes several chemical similarity indices to facilitate the grouping of chemicals into categories and read-across. The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set.
    Downloads: 1 This Week
    Last Update:
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  • 8
    rattleCAD
    A graphical tool to design a bicycle (s) geometry and derive drawings from its configuration rattleCAD moved to www.rattleCAD.com
    Downloads: 0 This Week
    Last Update:
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  • 9
    x-ballistics

    x-ballistics

    a browser based ballistics calculator for arrows and bullets

    Browser based ballistics calculator for arrows and bullets: http://www.x-ballistics.eu/app/web/ballistics/index
    Downloads: 0 This Week
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  • 10

    Crygr

    Compare and visualize charge densities from various file formats.

    This project is a small program using Qt for calculation and visualization of electron charge densities in crystals and molecules. It can create a 2D plane of charge densities or create a 1D representation of the charge densities along a given line, in both cases it can also export the graphical representations to various image formats. The program can import various file formats such as space 3D grids of charge density values, created in a quantum chemistry programs Gaussian, Crystal and...
    Downloads: 0 This Week
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  • 11
    arrowmatcher
    Arrowmatcher is a ballistics software for crossbow archers. It can calculate the speed, kinetic energy, trajectory, aiming solution and much more of an arrow (or bullet). It uses a simplified 6 degree of freedom model.
    Downloads: 3 This Week
    Last Update:
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  • 12

    charterix

    Web based Chart calculation Tool

    Calculate and create Charts Web based with real PHP Code and its Math Functions. Develope in Groups with detailed User Permissions or alone, for study purposes or just for fun. Score good Charterix Projects to bring them under the top ten. A Test-Run is available here: http://charterix.sourceforge.net
    Downloads: 0 This Week
    Last Update:
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  • 13
    A Library to calculate smooth lines in 2D and 3D. Given some polyline, a finer segmented polyline is generated. The smoothed line may hit the original points or its length may be equal to the original length. Linear equations solvers are also provided.
    Downloads: 0 This Week
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  • 14
    Chemitorium
    Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
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    Downloads: 2 This Week
    Last Update:
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  • 15
    Energy-, mass- or money-flows are described with simular balances. Usually many upsetting tables are used to calculate the balance. The Software Flow visualizes the data in a grafic, zoomable and animated way.
    Downloads: 0 This Week
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  • 16
    Acre calculates growing-space or stand-density of trees and creats pictures of it. It can also be used to calculate weighted Voronoi-Diagrams (splits up an area to the neares point or to the point with the greatest influence at a certain place).
    Downloads: 0 This Week
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  • 17
    jVisualizer is a graphical tool to visualize and analyse first-order coppling patterns found in NMR-spectroscopy; additional you can type in chemical shifts from an experiment to calculate coupling constants
    Downloads: 0 This Week
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  • 18
    This command line program will calculate any frequency Geodesic Sphere ( or dome ) from 1 ( Icosahedron ) to 100 or more. At the moment only class I frequency calculations are supported. Detailed PostScript plots and data can be outputted.
    Downloads: 0 This Week
    Last Update:
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