Search Results for "calculation"
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Showing 27 open source projects for "calculation"
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
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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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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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Jljp
Calculates the voltage across a liquid junction between two solutions
...It's a tool for scientists and engineers who have to do with electrochemistry and electrokinetics. When two solutions containing ions are put into contact, possibly through a porous diaphragm, a voltage develops across them. The calculation of the voltage is not trivial. The program is written in Java. Includes classes that can be included in other programs, together with graphical interfaces (also as an applet). -
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SidClock
*nix Sidereal Clock
*nix Sidereal Clock Application -
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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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Takin
Inelastic neutron scattering suite.
The main development repository can be found here: https://code.ill.fr/scientific-software/takin -
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QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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JPIV
Particle Image Velocimetry
JPIV is a platform independent, graphical stand-alone application for Particle Image Velocimetry (PIV) written in Java. PIV is an optical technique for measuring fluid flow velocities. JPIV moved to GitHub. Please visit us at: https://eguvep.github.io/jpiv/ -
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This is an implementation of post-process phonon analyzer, which calculates crystal phonon properties from input information calculated by external codes, e.g., first-principles calculation code.
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datasw
datasw, a tool for rapid processing of HPLC-SAXS data.
Small-angle X-ray scattering (SAXS) in solution is a common low-resolution method which can efficiently complement high-resolution information obtained by crystallography or NMR. Sample monodispersity is key to reliable SAXS data interpretation and model building. Beamline setups with inline high-performance liquid chromatography (HPLC) are particularly useful for accurate profiling of heterogeneous samples. The program DATASW performs averaging of individual data frames from HPLC-SAXS... -
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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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Pi-Space Physics Software
A Physics Theory for Unifying Classical, Quantum and Relativistic Phys
This is the Official Software of the Pi-Space Physics Theory created by Martin Brady. I have a B.Sc. in Computer Applications from Dublin City University and I have an interest in software implementation of Physics. The Theory includes a Quantum Theory of Gravity as well as a reworking of Classical versions of Newton's Formulas. The Theory is based on a set of Relativistic Diagrams called Pi-Space Diagrams for those new to the Theory. License :: Creative Commons Attribution... -
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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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Qi - Quantitative Imaging (PIV and more)
A collection of MATLAB tools for PIV, PTV, particle sizing, and more.
...Our Particle Image Velocimetry (PIV) tool, prana, implements a Robust Phase Correlation kernel for PIV analysis, and now includes Particle Tracking Velocimetry and sizing tools. Tools for pressure calculation, proper orthogonal decomposition (POD), and 3d imaging are under development. -
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ThermV
Comprehensive thermal analysis software package
ThermV thermal analysis software package aims to provide the most sophisticated automatic analysis of thermal analysis data (TG/DTG, DTA and DSC). It offers new algorithm for concurrent peak deconvolution at different heating rates and provides full kinetic analysis of these data, including isoconversional methods for Ea, determination of reaction model and full kinetic triplet, Avrami coefficients, and dimensionality of crystal growth for reactions in the solid state. The project is... -
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Cooldt
Cool-down time calculator for multi-layers pipe
Cooldt calculate the cooling duration of a multi-layers pipe in a cold environment. The duration to reach the “Final fluid temperature” or cool-down time (CDT) is calculated by solving the heat equation in cylindrical coordinates with a flux conservative formulation. -
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Nuclei
Feature rich GUI for nuclear decay schemes
Nuclei is a software tool for the displaying of nuclear decay schemes and estimated energy spectra, the calculation of angular γ emission anisotropies, and the automated search for appropriate decay cascade properties. It uses the Evaluated Nuclear Structure Data Files (ENSDF). A description of Nuclei's functionality and results obtained using its search method was published in Nuclear Instruments and Methods in Physics Research, Section A: M. -
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easyNRG
A simple MATLAB implementation of Wilsons NRG-method
At the moment this code can calculate free electron gas and the SIAM (single-impurity-anderson-model) In this version, the only thing computed by the code is the energy flow. There is no calculation for any thermodynamic quantaties. The implementation is very slow and rather for educational purposes to get an idea of the NRG-method. For example: it is not considered, that only matrix elements between states, whos occupation number differs by one and S_z differs by 1/2. There is only implicit parallelisation implemented by vectorizing the time consuming parts of the code. ... -
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This program allows you to create a transmission hologram using just a computer, a laser-printer, and an overhead transparency. This hologram will behave like one created using a laser and can be projected or viewed with a point source.
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MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 09-94, Molcas, Gamess/US, Firefly quantum chemical calculation packages.
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OpenThermo
Statistical thermodynamics package
OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation -
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Java Data Processing Project aims to manipulate text file containing scientific data such as time/intensity scan or spectrum. Jdpp provide large flexibility to read all possible time duration and date format. It is originally design to treat MS data.
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The GWO library is numerical calculation library for the diffraction integrals using a GPU (Graphics Processing Unit). If optics engineers and researchers have no knowledge of GPU, the GWO library provides them with the GPU calculation power easily.
