Search Results for "crystal"
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20 projects for "crystal" with 2 filters applied:
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Junie, the AI coding agent by JetBrainsJunie is an AI-powered coding agent developed by JetBrains designed to enhance developer productivity by integrating directly into popular IDEs such as IntelliJ IDEA, PyCharm, and Android Studio. It supports developers by assisting with code completion, testing, and inspections, ensuring code quality and reducing debugging time.
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Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
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http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
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Jmol
An interactive viewer for three-dimensional chemical structures.
...Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. ... -
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CASUP
Cellular Automata library for SUPercomputers (CASUP)
...It can be used in materials science (microstructure evolution, grain coarsening, fracture etc.), physics (Ising magnetisation) and for many other CA. If you use the library, please reference it as: A. Shterenlikht, L. Margetts, Three-dimensional cellular automata modelling of cleavage propagation across crystal boundaries in polycrystalline microstructures, Proc. Roy. Soc. A 471:20150039, DOI: http://dx.doi.org/10.1098/rspa.2015.0039. CASUP can be linked with FE (e.g. MPI FE library ParaFEM, http://parafem.org.uk) for a multi-scale multi-physics CA-FE framework. CASUP extensively uses Fortran 2008 and 2018 coarrays, as well as MPI, OpenMP and do concurrent. ... -
No-Nonsense Code-to-Cloud Security for Devs | AikidoAikido provides a unified security platform for developers, combining 12 powerful scans like SAST, DAST, and CSPM. AI-driven AutoFix and AutoTriage streamline vulnerability management, while runtime protection blocks attacks.
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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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TROPICS - Trajectory of Particle In a Crystal Simulator программный комплекс для моделирования траекторий движения быстрых заряженных частиц в осевых и плоскостных каналах кристалла под ОС Windows и Linux. Комплекс легко расширяется плагинами, может работать как в графическом режиме, так и в консольном для простого встраивания в другие программы. Комплекс обладает богатым количеством возможностей и настроек.
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vecds - Visual Editor of Crystal Defects - A QT and OSG application for visualization of atom-embedded grids.
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ANT.1D
Quantum transport for tight-binding and ab initio Hamiltonians
ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes. -
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flow visualization toolbox
matlab 2D image processing GUI toolbox for flow visualization
A general flow visualization Matlab toolbox for image processing of some common planar/surface visualization techniques from PLIF (Planar laser induce fluorescence) for tracer distribution, BOS (background oriented Schlieren) for density, TSLC (Temperature sensitive liquid crystal) for thermal and PSP (Pressure sensitive paint) pressure distribution measurement. This work is part of author's PhD study, under Dr S. Zhong @ the University of Manchester's supervision, guidance and support. Both GUI and command line interface are provided for newbie and advanced user. Image can be processed into contour image, matlab mat and tecplot data. ... -
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MSL
http://dx.doi.org/10.1002/jcc.22968
MSL is a C++ library that enables the computational study of macromolecules. The MSL library is not a program (although some applications are distributed) but a tool for scientist to code their own molecular modeling methods. Philosophy The main goal is to create a set of tools that enable the computational study of macromolecules with relative ease at all levels, from simple operations (for example, load a PDB and measure a distance or edit a dihedral) to complex applications... -
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ThermV
Comprehensive thermal analysis software package
...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 currently in alpha stage, where individual modules will be provided for data analysis. 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. ... -
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The Orientation Library is a collection of routines for rotation/orientation manipulation. It ranges from general tools to others for crystal orientations. It is written in C and is well-documented. An interactive program enables to run the routines.
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QuartzCrystal
Electric Behaviour of Crystals and Pierce Crystal Oscillators
The Java applet QuartzCrystal shows the frequency response of quartz crystals and Pierce crystal oscillators. Crystal parameters can be freely choosen. Display is spectrum analyzer-like and shows the amplitude/phase and/or a Nyquist diagram. Crystals can be series resonant or with load capacitance. Adding of spurious resonances is possible. -
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Pyanpha
A python program to use multiwavelength anomalous surface diffraction
pyanpha is a shell-based program, which applies the multi-wavelength anomalous diffraction technique to Surface Diffraction. It enables one to calculate the phases of the structure factors of crystal truncation rods when anomalous scatterers are present in the thin film. Functionality extends to standalone simulations. It was coined pyanpha which is an acronym for PYthon ANomalous PHAsing and it is written in python. -
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fropho calculates phonon properties in crystal, which is based on Parlinski-Li-Kawazoe method. Information of forces acting on atoms when an atom is displaced is required as input information. fropho is going to be replaced by phonopy.sourceforge.net.
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BZbyte reports is a fully web based reporting solution created to provide a commercial quality cross platform professional open source alternative to expensive reporting packages such as Crystal Reports(tm), and others. Visit: http://www.bzbyte.com
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AGISim is a framework for the creation of virtual worlds for artificial intelligence research, allowing AI and human controlled agents to interact in realtime within sensory-rich contexts. AGISim is built on the Crystal Space 3D game engine.
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Crystal Math is a symbolic math suite. While it can be used as a simple calculator, it also has a powerful equation based subsystem which lends itself well to such task as symbolic differentiation. Developers Needed!
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