Showing 22 open source projects for "icon of program: command"

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  • 1
    ransfoil

    ransfoil

    console to calculate airflow around an airfoil based on RANS approach

    RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. In addition, the coupling between airflow and...
    Downloads: 7 This Week
    Last Update:
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  • 2
    Jljp

    Jljp

    Calculates the voltage across a liquid junction between two solutions

    An analogous project written in C# can be found here: https://github.com/swharden/JLJP Liquid junction potential calculator. 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,...
    Downloads: 1 This Week
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  • 3

    Frame3DD

    Static and Dynamic Structural Analysis of 2D and 3D frames.

    FRAME3DD is a program for the static and dynamic structural analysis of two- and three-dimensional frames and trusses with elastic and geometric stiffness.
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    Downloads: 100 This Week
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  • 4
    XMD is a program for performing molecular dynamic simulations on metals and some ceramics materials at the atomic scale. It models atomic energies and dynamics using user defined pair potentialsl, EAM potentials and some hard coded potentials.
    Downloads: 1 This Week
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  • 5
    bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite
    Downloads: 0 This Week
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  • 6

    calculate-curie

    Calculates Curie temperature for honeycomb/hexagonal materials

    Program to calculate Curie temperatures for hexagonal and honeycomb materials, as described in *2D ferromagnetism at finite temperatures under quantum scrutiny* by *Joren Vanherck, Cihan Bacaksiz, Bart Sorée, Milorad V. Milošević and Wim Magnus*.
    Downloads: 0 This Week
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  • 7

    CIF2Cell

    Generating cells for electronic structure calculations from CIF files

    CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published...
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    Downloads: 13 This Week
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  • 8
    datasw

    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...
    Downloads: 0 This Week
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  • 9
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work,...
    Downloads: 0 This Week
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  • 10

    Computing with units

    Calculator that takes care of measurement units.

    Java program for computations with values expressed in terms of physical or other units. Supports complicated mathematical expressions and user-defined functions. Invoked from scripts, line command, or as GUI. Extensive units data base.
    Downloads: 0 This Week
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  • 11
    Discrete Dipole Aproximation Project

    Discrete Dipole Aproximation Project

    Plugin orientated Discrete Dipole Approximation (DDA) Solver

    Discrete Dipole Approximation Project, is a software package designed to solve the Discrete Dipole Problem by the Discrete Dipole Approximation (DDA) method. This software is desgined to be plugin operated allowing for easy implimincation of new solver methods to improve the efficienty of the code. The plugin support also allow the program to write its output in multiple formats and structures defined by plugins.
    Downloads: 0 This Week
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  • 12
    MPQC

    MPQC

    Massively Parallel Quantum Chemistry program

    The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
    Downloads: 6 This Week
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  • 13

    psicode

    An open-source quantum chemistry program package

    PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.
    Downloads: 3 This Week
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  • 14
    Compilation of Physics Calculators

    Compilation of Physics Calculators

    A compliation of Physics derived claculators

    A NEW GUI VERSION WILL BE RELEASED SOON! Thank you for visiting the Physics Calculator, provided by PIezoSystems Inc., please visit their company website at https://piezosystems.org. For other downloads, please visit our github page, https://github.com/PiezoSystems. We hope that you find this program useful and easy to use, for troubleshooting, please email us, contact@piezosystems.org. If any bugs were found, please email us at bugs@piezosystems.org.
    Downloads: 0 This Week
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  • 15
    Tidal Analysis Program in PYthon (TAPPY) uses the least squares optimization function from scipy to perform a harmonic analysis (calculate amplitude and phases of a set of sine waves) of a hourly time series of water level values.
    Downloads: 0 This Week
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  • 16
    spinney
    SPINNEY provides an implementation of helicity spinors and related algorithms for the symbolical manipulation program FORM. The description of this package is published in http://arxiv.org/abs/1008.0803 .
    Downloads: 0 This Week
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  • 17
    OpenThermo

    OpenThermo

    Statistical thermodynamics package

    OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation
    Downloads: 0 This Week
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  • 18
    RHydrogen is a lightweight open-source c++ program which solves the Dirac equation for Hydrogen-like atoms. This implementation is based on the ROOT program library.
    Downloads: 0 This Week
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  • 19
    QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.
    Downloads: 1 This Week
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  • 20
    A program which simulates the motion of particles due to electric charge and gravitational force. Calculations are done in two dimensions, without care given to real world factors such as air resistance, although such functionality may be added later.
    Downloads: 0 This Week
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  • 21
    This is an extension to the standard 2D HF package (A Numerical Hartree-Fock Program for Diatomic Molecules by Jacek Kobus, Leif Laaksonen and Dage Sundholm) that adds some extra functionality.
    Downloads: 0 This Week
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  • 22
    PhantomPhysics is a physics equation solving program geared towards students in a High School physics class. This program can solve for just about any variable for any equation you might encounter in High School physics. PhantomPysics is written in Java.
    Downloads: 0 This Week
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