Search Results for "crystals"
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Showing 29 open source projects for "crystals"
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FairChem
FAIR Chemistry's library of machine learning methods for chemistry
...The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. Tasks span heterogeneous domains—catalysis (OC20-style), inorganic materials (OMat), molecules (OMol), MOFs (ODAC), and molecular crystals (OMC)—allowing one model family to serve many simulations. The README provides quick paths for pulling models (e.g., via Hugging Face access), then running energy/force predictions on GPU or CPU. -
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XD1DD
XD1DD: X-ray Diffraction for 1 Dimensional Disorder
The computer program is designed to calculate powder X-ray diffraction patterns for one-dimensionally (1D) disordered crystals, i.e. containing planar defects. Calculations are made on the basis of statistical models, where the Markov chain with stationary transition probabilities is used as a probabilistic rule for generating a 1D disordered sequence of layers. The model takes into account the short-range order in the alternation and methods of layer superposition, which allows simulating various cases of distribution of planar defects in crystals. ... -
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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Soul of Sphere Platinum
Save the World of Altara in my first RPG in 2D!
Altara is under the menace of the general Sphax. An ancient sphere calls young & old folks of a village in this world. Gamna, Arasyb, Ulania, Uniar, Dorna, Xylvan must save the lands of the years 3700 A.C. With unique weapons, battle numerous ennemies, grab items, buy gems, potions & artifacts. Now at v29.47 with Xilvan Design Sprites Library! Newly added grass, trees, flowers, butterflies and mp3 musics. This game will enchant you. A RPG made since 1999-2004 by Hypersphere... -
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Candy to the Rescue IV
Help Candy & Noopy to rescue their friends trapped into cages.
Recently, the new project Candy to the Rescue IV: The Scepter of Thunders was born. In this game, Candy and Noopy must find pendora boxes in order to remove the new dangers appeared in the game. Animals got trapped into cage, you must find the key to freed them. New trees, new challenges. Recently, in the Candy World, thunderstorms was happening. It's the v65.95 of this game! Friendly, Xylvan, Xilvan Design Made from 2011-2026. -
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Candy's Space Adventures
In this quest, you will have to explore galaxies with various nefs..
Hi everyone, In the year 2014-2026, I was working on: Candy's Space Adventures: The Messages from the Lillians. In this quest, it will be possible to travel from different solar system to another, from a galaxy to another. The goal will be to save all living planet, and maybe repairing planets like venus or mars. We are now at v86.37! Friendly, Xylvan, Xilvan Design. -
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Candy World Adventures V
In this 2D plateformer, you may have to save our friends & Candy.
Xilvan Design presents: Candy World Adventure V v53.27 it is a 2D plateforming game made from 2009 to 2026. The Editor is back in newer version of this game. The Spritelib used for mobs(sprites) are available to download too! -
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Candy's Space Mysteries II
With the helpfull nef, you have to rescue earthlike planets!
During their recent spacetrip, Candy & Noopy get trapped into a giant wormhole! They made a long light trip and found a passage who leads to the Milky Way. They was searching for a place to land, they have found the Earth. Knowing that great cataclysms are menacing their homeplanet, Candy & Noopy said together: - "We must save the Earth!". Since some times, the star masses, combined with the magnetic-fields of this planet gave special powers to the spaceship: The one of... -
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XRD CUBIC
Simulate crystal cell length (a), Miller indices {h, k, l}, d-spacing
This is a basic computer program (coded in Python) to simulate possible unit crystal cell length (a), Miller indices - {h, k, l} and interplanar spacing (d) for cubic crystals from observed (experimental) X-ray diffraction (XRD) angle, 2-theta. It can simulate all these possible crystal lattice parameters for cubic crystal systems between the given 2–theta values within the range of specified cell length (a) limits. 1. Enter wavelength of X-ray (in Angstroms) 2. Enter minimum and maximum diffraction angle as 2-theta (in Degrees) 3. ... -
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Laser Kids
Homemade lasers and the braniac laboratory
...And guides where it is described how to build them step by step. Any laser described in the guides can be build from scratch using only the common accessible resources. You won't need rare crystals, optics, mirrors or anything like this. On the other hand all lasers here are the demo of the concept. (Rather) cheap, quick-and-dirty mockups. Feel free to make for them proper housing and shining handles. My task is simple - to show that lasers ARE simple. Not less not more. -
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ODFR
Software for simulation of slow motional EPR spectra in aligned media
...The detailed description of all models and approximations used in the program is contained in the following reference: A.Kh.Vorobiev, A.V.Bogdanov, T.S.Yankova, N.A.Chumakova, “Spin probe determination of molecular orientation distribution and rotational mobility in liquid crystals. Model-free approach.”, submitted to Phys. Chem. Chem. Phys., 2018. Please, cite this reference whenever you intend to publish results obtained with the software ODFR. ODFR was created in 2018 in Moscow State University by Prof. Andrey Kh. Vorobiev, mailto: a.kh.vorobiev[[at]]gmail.com -
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Karl's Wow UI
This is the UI I use to play World of Warcraft
This is my World of Warcraft UI. I use it with all my characters. This is mainly to help my guild members get addons installed without a lot of hassle. None of this is my work. All credit goes to the authors. -
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Cartes
For all kinds of geometry transformations of molecules and crystals
功能： A. 晶体坐标变换 -分数坐标和直角坐标互转 -向ａ,ｂ,ｃ三个方向堆积i,j,k个晶胞 -按给定对称关系得出所有相关原子 -按空间群对称性由不等价原子推出晶胞内所有原子 -查看空间群信息及对称等价位置 -自动转换*.cif文件 B. 分子坐标变换 -按指定对称操作任意平移、旋转、反映或反演当前的坐标 - 将一组坐标的中心平移到原点 -自动点群识别 -自动调整分子取向，包括 1)自动将分子的主轴调整到x,y,z轴上 2)自动将分子的自定义的某个轴调整到自定义的另外一个轴上 C. 各种文件格式的转换 注：Windows Vista使用注意：将cartes.exe的兼容模式改成Windows XP，并从用“管理员运行模式” -
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Crygr
Compare and visualize charge densities from various file formats.
This project is a small program using Qt for calculation and visualization of electron charge densities in crystals and molecules. It can create a 2D plane of charge densities or create a 1D representation of the charge densities along a given line, in both cases it can also export the graphical representations to various image formats. The program can import various file formats such as space 3D grids of charge density values, created in a quantum chemistry programs Gaussian, Crystal and VASP. ... -
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MetricTens: Crystallography
GUI that enables crystallographic computations for all seven crystal s
...This GUI allows the creation of stereographic projection as well as the individual computation of angles between planes and directions for all seven crystal systems. Those who work in preferred orientation of polycrystalline materials or single crystals might find this GUI useful. To view code, check MATLAB File Exchange Standalone Versions available for both WINDOWS and MAC. No MATLAB required. -
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TurNexTurn
Endless maze game. Reach a maximum score.
Take a ball and help him to find a right way through a labyrinth. Collect crystals to open additional game content - new balls and worlds. Stay on and beat a highscore! How long can you survive in this game? Come on, now it's Your turn! -
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An expert system for automated reduction of X-Ray diffraction data from macromolecular crystals, making use of existing software (CCP4, XDS, Phenix, CCTBX.)
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piv_clustering
structural clustering of atomic trajectories based on PIV
This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The... -
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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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Mystery of Crystals
Game
Mystery of Crystals, MoC, is a simple rpg game that have easy and hard moments. The world is acting weird now, and meteor sites are filled with weird crystals. Can you find the real truth? -
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NLOPredict is a nonlinear optical prediction and data analysis tool. Nonlinear optical measurements can yield information about the structure of crystals, and orientation of molecules at surfaces and interfaces.
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Create Crystals with the Miller indices of the 32 crystal classes. Programmed with WPF C# with the Microsoft Visual C# 2008 Express Edition.
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The project devoted to develop LADY software. LADY is a abbreviation formed from LAttice DYnamics toolkit. The software is the semi-emperical program which aids to simulate the dynamical property of crystals within a selected potential function.
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The idea is to design simple computers, comparable to vintage homecomputers, large numbers of which are simulated on a PC in parallel. The machines connect to each other, with the goal of seeing efficient structures grow spontaneously, like crystals.
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NLO helps studying the nonlinear optical effects of crystals. It offers a GUI to plot the theoret. expected "maker fringes", captures images from video, retrieves data from and sends data to a LockIn, controls a stepping motor, imports and plots datase
