Search Results for "python code"
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Showing 18 open source projects for "python code"
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Surya
Implementation of the Surya Foundation Model for Heliophysics
Surya is an open‑source, AI‑based foundation model for heliophysics developed collaboratively by NASA (via the IMPACT AI team) and IBM. Named after the Sanskrit word for “sun,” Surya is trained on nine years of high‑resolution solar imagery from NASA’s Solar Dynamics Observatory (SDO). It is designed to forecast solar phenomena—such as flares, solar wind, irradiance, and active region behavior—by predicting future solar images with a sophisticated long–short vision transformer architecture,... -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical... -
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KherveFitting
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
KherveFitting is a full featured XPS, XAS and Raman fitting software for Windows & macOS that is simple and easy to use. KherveFitting can open Excel files (.xlsx) or import/convert .vms, .avg, .kal, .spe (Thermo, Kratos, Specs, Scienta, Omicron, Phi) files into Excel format. 5 background types available: Tougaard, Shirley, Smart, Adaptive Smart. Various peak fitting models: Product and Sum of Gaussian and Lorentzian (GL & SGL), Voigt, Asymmetric Lorentzian (LA), Doniac-Sunjic (G*DS) and... -
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. -
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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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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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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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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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wmtsa-python
Discrete wavelet methods for time series analysis using python
...The code uses a mix of python and cython for improved performance. The code reflects my needs and preferences, but contributions from others are welcome. The code has to some extent been tested, but bugs are to be expected. -
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ThermV
Comprehensive thermal analysis software package
...The modules for peak deconvolution, peak profile analysis and determination of Ea and lnA will be provided first. Full GUI will be provided in beta stage. Due to computational limitations, the code is partly programmed in Python and partly in R. Python code will eventually be fully integrated into GUI. R code might remain standalone, although it will be integrated to a highest possible degree. Distributed under GPL -
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NanoCap
Carbon Fullerene and Capped Nanotube Generator
...The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code. -
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We have moved to github! Please visit us at https://github.com/ROOTPWA-Maintainers/ROOTPWA. ######################## ROOTPWA is a toolkit for partial-wave analysis of multi-particle final states produced in high-energy particle reactions. It is used to determine hadron spectra from experimental data. NOTE: The code is only accessible through the git repository in the "Code" section of this website. Please refer to the README file on how to get and install ROOTPWA and on how to...
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OpenSQUID
Superconducting QUantum Interference Devices (SQUIDs) control software
...The software is implemented in Python and aims to be easily integrated with user-defined measurement and control code. -
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...The communication with the hardware is independent of the GUI and any number of devices can be selected. To modify the code for any other task only the hardware interface needs to be redefined.
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QuickFlash is a C++-based analysis library for data files generated by the Flash hydrodynamics code. It provides high-performance access to large datasets in low memory situations and other restrictive environments.
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haggies is an optimizing code generator. It can read in expressions in common notation and generate output for many programming languages including C/C++, Java, Fortran, Python and many others.
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Quantum Monte Carlo algorithms expressed in Python. This code calculates electronic properties of atoms and molecules from first principles.
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Dimenso is a library of numeric types for .Net and Java, that obey dimensional analysis and permit calculations with physical quantities. Due to the lack of C++ - like templates with numeric arguments, code generation is employed using Python.
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