Search Results for "python::module" - Page 3
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Showing 230 open source projects for "python::module"
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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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LaueTools
open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation. Python 3 Code and new features are now at: https://gitlab.esrf.fr/micha/lauetools -
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CutePy
Lightweight Qt-based Python console with variable explorer and history
CutePy is a lightweight Qt-based Python 3 console with variable explorer, command history, syntax highlighting and customizable startup script. Originally it was developed for simple scientific calculations as a replacement for e.g. Windows calculator or Python IDLE. Therefore its main aim is to start fast and provide more comfortable dealing with variables based on the Python language. -
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plot.py
direct data plotting and evaluation
...Many raw experimental data types (mostly of x-ray and neutron scattering experiments) are supported with more to be added on user request. The data treatment includes non-linear fitting, integration and differentiation, peak-finder and more. User python code can be executed in the integrated IPython console. -
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QualityControlForRadiology
QC tests and patient doses from radiodiagnostic XRay equipment
...This program is found here: https://sourceforge.net/projects/doseinhumanbody/ Read the "README" file for details. Source code and documentation included. Also, available on GitHub: https://github.com/ZiliasTheSaint/RadQC.git Check out for dependent module! -
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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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DetectorCalibration
Peak and global efficiency of radiation source-detector equipment
...Due to the nature of Monte Carlo simulation technique, all geometries involved must be well known for accurate results! Can be used along with RadiationHelper (Beta_Gamma_MC module with Geant4 checkbox selected) but make sure that inside RadiationHelper folder there is MonteCarloPath.txt file having the first line pointing to the path of detector.exe folder (e.g. D:\\DetectorCalibration\\Build) and, if on Linux, next lines pointing to the Geant4 data. RadiationHelper is found here: https://sourceforge.net/projects/radiationhelper/ Source code included. ... -
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Now maintained at github.com/spacepy/spacepy Space Science library for Python - contains superposed epoch classes, drift shell tracing, access to magnetic field models, streamline tracing, bootstrap confidence limits, time and coordinate conversions, etc.
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darc
Durham Adaptive-optics Real-time Controller
darc, the Durham Adaptive optics Real-time Controller. For documentation or darctalk client only, select "View all files". For the latest bleeding-edge version, please use: git clone git://git.code.sf.net/p/darc2/code darc (no password required) (this changed May 2013 due to a sourceforge update). If you use darc, please cite with: Basden, A and Myers, R, MNRAS Vol 242, page 1483, 2012 -
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Qutranpy
Interactive electronic quantum transport
Interactive program to perform quantum transport calculations by means of the Landauer and scattering matrix formalism, in a two terminal geometry. The Hamiltonians of leads and scattering region can be modified, adding exchange fields, mass, spin-orbit coupling or superconductivity. -
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Quantum Honeycomp
Interactive program to calculate electronic properties in graphene
Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example... -
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Construct2D
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
...Elliptic grid generation is still available also. Smooth airfoil surface spacing is handled automatically with user-controlled clustering parameters. Also included is a visualizer written in Python with matplotlib. -
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Inelastica
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
...Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php. -
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Acoustic Research Tool (ART)
Acoustic Simulation Library for Frequency and Time Domain Simulations.
ART is a flexible simulation framework for wind instruments. It includes a growing library of modelling elements. So far bore discontinuities, branches, tone holes, cylindrical and conical tubes, Bessel horns and bent tubes are available for frequency domain modelling. In the time domain generic bidirectional propagation elements, scattering elements, fractional delays, convolution with reflection functions and general z-domain networks are available and can be described using MuParserX... -
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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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ChiantiPy is a Python package for the CHIANTI atomic database for astrophysical spectroscopy. It provides access to the database and the ability to calculate various physical quantities for the interpretation of astrophysical spectra.
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Cambridge Rocketry Simulator
Simulate high power rocket flights with splash down plots
This software allows you perform six degree of freedom simulations of High Power Rocket (HPR) and model rocket flights. Parachute descent is also simulated. 3D flight trajectories are produced as well as detailed tabular flight data. Running in Monte Carlo mode allows generates multiple possible flight paths and splash down plots, indicating the probability of landing in an area. Peer-reviewed publication in the Journal of Open Research Software... -
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pyLuminous
python modules for modelling some optical systems.
This project is a collection of python modules for modelling various optical systems. It presently consists of pyFresnel and pyQW. pyFresnel models optical properties of dielectric layers and includes a thin film model (unlike the many other codes out there this can also handle uniaxial layers as long as the optical axis is aligned with the stack growth direction). pyQW models very simple (n-doped) quantum well structures and their intersubband transitions. -
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cphcttoolbox
Cph CT Toolbox is a selection of Computed Tomography tools
...The toolbox apps generally take a set of projections (X-ray intensity measurements) and filter and back project them in order to recreate the image or volume that the projections represent. The project includes both mostly informative CPU implementations and highly efficient GPU implementations. Regular releases are hosted at the Python Package Index. -
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pyxaid
PYthon eXtension for Ab Initio Dynamics
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WavePacket
Dynamics of quantum systems, controlled by external fields
...With its visualization of quantum dynamics generated 'on the fly', WavePacket is suitable for teaching quantum mechanics as well as for research projects, see also the numerous demonstration examples . The Matlab/Octave version is mature and has been used in production for decades. The C++/Python version has been superseded by https://github.com/ulflor/wavepacket. Using tensor train techniques, the additional WaveTrain package aims at beating the curse of dimensionalit -
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PhaseSpace
Analyse dynamical systems, plot its phase space and critical points.
...PhaseSpace allows you to plot the phase space of the dynamical system you are studying, its critical points and the curves of slope zero and infinite.It can also plot the solutions of the system and it's vector field. To use PhaseSpace you'll need to have Python installed along with Matplotlib and Numpy. -
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vecds - Visual Editor of Crystal Defects - A QT and OSG application for visualization of atom-embedded grids.
