Showing 43 open source projects for "calculation"

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  • 1
    Ion Beam Simulator
    Library for ion optics, plasma extraction and space charge dominated ion beam transport.
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    Downloads: 17 This Week
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  • 2

    GromacsProSuite

    Graphical User Interface for Gromacs

    This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure...
    Downloads: 8 This Week
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  • 3
    DimCE

    DimCE

    Tool for evaluating an energy sharing project in Wallonia.

    DIMCE was created out of a desire to give everyone a tool for assessing the profitability of a shared energy project. DIMCE enables a detailed analysis of a collective energy project, making it possible to evaluate its relevance. It can simulate photovoltaic, wind, and cogeneration/anaerobic digestion production.
    Downloads: 20 This Week
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  • 4
    MzDOCK - Multiple Ligand Docking Tool

    MzDOCK - Multiple Ligand Docking Tool

    MzDOCK is A Virtual Screening Tool For Drug Discovery Research

    - Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us -...
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    Downloads: 55 This Week
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  • 5
    Code_TYMPAN

    Code_TYMPAN

    Open source software calculating industrial noise in the environment

    ...It allows dealing with 3D realistic geometries and has a convenient Human Machine Interface to help engineers to build 3D models and to achieve analysis needed in environmental noise studies. Code_TYMPAN™ allows developing your own calculation method from basic components and geometrical solvers. It includes a solver based on ISO 9613 extended to industrial applications. In 4.2.x version, a Python API allows advanced users to build and solve models programmatically. By this mean, developers have the capability of building new tools with acoustic features with high productivity. ...
    Downloads: 16 This Week
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  • 6
    ransfoil

    ransfoil

    console to calculate airflow around an airfoil based on RANS approach

    ...In addition, the coupling between airflow and heat transfer and the effect of surface roughness on near wall flow are considered by this program, it can be used for engineering calculation of the friction drag and heat transfer coefficients on airfoil surface. RANSFOIL reads coordinates data from a 1D XYZ file which describes the grid points or control points on airfoil as only input, then outputs grid and solution files in 2D PLOT3D format to record grid coordinates and airflow data and a report file to show aerodynamic parameters.
    Downloads: 1 This Week
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  • 7
    ALAMODE

    ALAMODE

    Ab initio simulator for thermal transport and lattice anharmonicity

    ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :...
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    Downloads: 8 This Week
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  • 8

    Liquid rocket engine parameter solver

    This is the liquid rocket engine parameter solver Alpha release 1.

    This is the liquid rocket engine parameter solver Alpha release 1 which is the first version for this project. This first version will help to find thrust values by giving some values to the system
    Downloads: 0 This Week
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  • 9
    Mesh2HRTF
    Mesh2HRTF is an open-source project aiming at providing an easy-to-use software package for the numerical calculation of HRTFs. It targets researchers in the field of binaural audio. In a nutshell, Mesh2HRTF simply reads geometrical data, calculates the corresponding sound field and outputs HRTFs. To support multiple computer platforms, the concept of Mesh2HRTF is to focus on a command-line tool, which forms the numerical core, i.e., an implementation of the 3-dimensional Burton-Miller collocation BEM coupled with the multi-level fast multipole method (ML-FMM), and to provide add-ons for existing cross-platform applications for the preprocessing of geometrical data and for the visualization of results.
    Downloads: 0 This Week
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  • 10
    Numerics for Chemical Engineering

    Numerics for Chemical Engineering

    Numerical models for chemical and process engineering

    NCE Calculation Framework is a library of routines, models and data applicable to chemical and process engineering calculations, written in Java. -- NEW -- www.chesolver.com *ONLINE CALCULATORS*. A set of solvers to perform calculations consistently on any device, from smart-phone to desktop. The project includes the following ready to use software all based on the same core library: * Online Calculators at www.chesolver.com * Extensions for Libreoffice/Openoffice Calc spreadsheet: - NCE: https://extensions.libreoffice.org/extensions/nce - NCE-Units: https://extensions.libreoffice.org/extensions/nce-units Check out also our video channel: https://www.youtube.com/channel/UCt2EGdw33k2u19PnZAi8YJA
    Downloads: 3 This Week
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  • 11
    CamShaft
    Calculation of camshafts - allows to define a camshaft profile on the set trajectory which should provide the given mechanism. The trajectory can be set graphically, co-ordinates or function.
    Downloads: 1 This Week
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  • 12

    RElt

    calculates overlap, kinetic integrals for numerical atomic orbitals.

    ...The overlap and the kinetic integrals in R^3 are reduced to the integrals over the rectangular domain in R^2, what substantially reduces the complexity of the problem. We prove that the integrand over the rectangular domain is continuous and does not have any slope singularities. For calculation of the integral over the rectangle any adaptive algorithm can be applied. The exemplary results were obtained by application of the adaptive Gauss quadrature. The implemented algorithm is described in my paper: "Numerical calculation of overlap and kinetic integrals in prolate spheroidal coordinates", International Journal of Quantum Chemistry, Volume 108, Issue 2, Year 2008, Pages 249–256 http://onlinelibrary.wiley.com/doi/10.1002/qua.21485/full
    Downloads: 0 This Week
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  • 13
    Calculation of radiation view factors by adaptive integration. A cross-platform port of the public-domain code by George Walton.
    Downloads: 4 This Week
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  • 14

    cupSODA

    Deterministic simulator of mass-action based models

    cupSODA is a simulator of biological systems that exploits the remarkable memory bandwidth and computational capability of GPUs. cupSODA allows to efficiently execute in parallel large numbers of simulations, which are usually required to investigate the emergent dynamics of a given biological system under different conditions. cupSODA works by automatically deriving the system of ordinary differential equations from a reaction-based mechanistic model, defined according to the mass-action...
    Downloads: 0 This Week
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  • 15

    TAPIOCA

    support software to enhance the usability of xTAPP by visualization

    A tool of input-file preparation and visualization for xTAPP, an application of the first-principle calculation. By graphical user interface (GUI), this application helps xTAPP users for making input files, and visualizes results of wavefunctions, electron densities, and potential profiles into three-dimensional graphics from output files.
    Downloads: 0 This Week
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  • 16
    LaserCalc

    LaserCalc

    Simulating optical systems

    LaserCalc is an Open Source wxWidgets application for the calculation of optical beam paths and laser resonators based on Gaussian beam matrix optics. In addition beam paths can be optimized to match given beam parameters (mode matching).
    Downloads: 0 This Week
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  • 17
    ...Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)
    Downloads: 0 This Week
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  • 18
    graphene-like-ribbons

    graphene-like-ribbons

    Calculate electronic properties of graphene-like nanoribbons

    User friendly interface for calculating electronic properties in graphene-like ribbons. The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp
    Downloads: 0 This Week
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  • 19
    A multiparticle tracking postprocessor library for accelerator physicsists.
    Downloads: 0 This Week
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  • 20
    µic is a modelling engine for simulations of microstructural development. It takes localied behaviours as input from the user and integrates the global behaviour, with the calculation of all interactions as required by the application.
    Downloads: 0 This Week
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  • 21
    Simbuca
    SIMBUCA (before called Simonion) is a simulation package that simulates the motion of charged particles under the influence of Electric and/or Magnetic fields. What makes Simbuca unique is that you can choose to calculate the Coulomb interaction between ions on a Graphics cards which is much faster than calculating this on the conventional CPU (reducing the simulation time from years to days). Therefore Simbuca has been applied in various projects which required to understand the...
    Downloads: 0 This Week
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  • 22
    Gas Turbine Developer
    "gtdev" is an open source tool which assists the engineer in developing a new gas turbine (1D Thermo- and Aerodynamics). It is created by the student research group "Hummingbird - TUM Gas Turbines" placed at the LFA, TU Munich: http://www.hummingbird.tum.de
    Downloads: 3 This Week
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  • 23
    islec

    islec

    ISL Solid-Liquid Equilibrium Calculator

    ISL Equilibrium Calculator,which process solid-liquid equilibrium calculation by using Harvie extended Pitzer's ion interaction electrolyte solution model and particle swarm optimization Gibbs free energy minimization (GEM). ISLEC is an efficient tool for solid-liquid equilibrium calculation, and can simulate the crystallization path of seawater and salt lake brines. ISLEC is suitable for related researches and process design.
    Downloads: 0 This Week
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  • 24

    Gas 2D Simulator

    Simple simulator of monoatomic gas.

    The program allows to simulate and visualize the behaviour of monoatomic gas in 2D. The main feature of the programm is that simulation is performed using direct simulation of particles motion and collisions (i.e. all particles collisions are taken into account).
    Downloads: 0 This Week
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  • 25
    ddsweet is collection of tools and routines for science calculation and simulation.
    Downloads: 0 This Week
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