Search Results for "calculation"
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Showing 53 open source projects for "calculation"
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Library for ion optics, plasma extraction and space charge dominated ion beam transport.
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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... -
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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. -
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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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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. ... -
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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. -
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DoSA-3D
3D open source actuator simulation software
...The program environment is developed to be similar to that of product development, so even product developers who have not majored in analysis can easily analyze the magnetic force of actuators. In DoSA-3D, three programs are connected and operated as follows. - DoSA-3D : Provides an easy working environment for developer - GetDP: Magnetic force calculation - Gmsh : Provides Pre/Post, Mesh Therefore, the installation process may be somewhat complicated. Please refer to the installation guide video and installation help file below for installation. - Installation guide video: https://youtu.be/7CGu60M-r9Y - Installation help file: https://solenoid.or.kr/data/DoSA-3D_Install_Guide_ENG.pdf - Project homepage : https://solenoid.or.kr/index_dosa_open_3d_eng.html -
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DoSA-2D
2D open source actuator simulation software
...The program environment is developed to be similar to that of product development, so even product developers who have not majored in analysis can easily analyze the magnetic force of actuators or solenoids. DoSA-2D is responsible for an easy working environment for developers, and magnetic force calculation is connected to FEMM, a two-dimensional magnetic analysis S/W. Therefore, the installation process may be somewhat complicated. Please refer to the installation guide video and installation help file below for installation. - Installation guide video: https://youtu.be/323tNuSe6DI - Installation help file: https://solenoid.or.kr/data/DoSA-2D_Install_Guide_ENG.pdf - Project homepage : https://solenoid.or.kr/index_dosa_open_2d_eng.html -
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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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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 -
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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.
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galaxie chung is a galaxy numerical simulation experiment i have written in fast compiled freebasic for calculation and openGL for displaying. the galaxy is modelized as a gaz of stars submited to gravitation. Can run on an ordinary pc notebook.
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This is a standalone program for a) the calculation of diffusion coefficients of sorbates inside nanoporous materials at different loadings by using transition rate constants and for b) solving the master equation for a system consisted of a large number of unit cells per each direction. It is based on the following published paper "Kolokathis, P. D., Braun, O. M.. J. Comput.
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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 -
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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.
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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 -
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Calculation of radiation view factors by adaptive integration. A cross-platform port of the public-domain code by George Walton.
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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... -
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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. -
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Template Code Set for JModelica
This is a template Python code set to use JModelica easily.
This is a template Python code set which makes it easy to use JModelica to solve optimal control problem. The template includes a sample model definition file (opt_definition.mop) and a .bat file (run_me.bat) to start its calculation. After download the template, immediately you can run JModelica by only double-clicking run_me.bat file, and obtain the optimization result. Please go to the page given below for the information of how to start to use this and its details. -
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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). -
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...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)
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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 -
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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.
