Search Results for "gaussian 3"
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Showing 24 open source projects for "gaussian 3"
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QuadGK.jl
adaptive 1d numerical Gauss–Kronrod integration in Julia
...It supports the integration of arbitrary numeric types, including arbitrary-precision (BigFloat), and even the integration of arbitrary normed vector spaces. The package provides three basic functions: quadgk, gauss, and kronrod. quadgk performs the integration, gauss computes Gaussian quadrature points and weights for integrating over the interval [a, b], and kronrod computes Kronrod points, weights, and embedded Gaussian quadrature weights for integrating over [-1, 1]. -
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PlotAndRoi
Plot PIXE;RBS, PIGE; IBIL spectra. Gaussian fit one peak
PlotAndRoi allows to plot and compare all types of files acquire at AGLAE (PIXE, RBS, PIGE, IBIL, ...) . It can also fit one peak on all spectra quickly to do PIGE processing by doing simple rules of three method. -
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. 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... -
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GrainSizeTools script
A Python script for estimating the grain size from thin sections
Homepage & docs: http://marcoalopez.github.io/GrainSizeTools/ GrainSizeTools is a free, open-source, cross-platform script written in Python that provides several tools for (1) estimating average grain size in polycrystalline materials, (2) characterizing the nature of the distribution of grain sizes (either from apparent distributions or approximating 3D grain size distributions via stereology), and estimating differential stress via paleopizometers. The script requires as the input the... -
Atera all-in-one platform IT management software with AI agentsAtera’s AI agents don’t just assist, they act. From detection to resolution, they handle incidents and requests instantly, taking your IT management from automated to autonomous.
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Image16
Image viewer/editor specialized in astrophotography 16bits processing
Opens/saves TIF, FITS, PNG, XISF, PXM, RAW, JPG, XCF, PSD, WEBP. AsinH, Sqrt, Ln, Exp and Sqr stretching, HSL and RGB adjusting, Levels and Curves adjusting and Background Extraction for Color Balance, Flatness and Gradient Correction. Arithmetic between images. Resizing and croping. Color Balance based on background, selection or stars B-V (after platesolving). Debayering/Bayering. Inversion, mirroring, rotation, barrel/pincushion correction. RGB alignment/shifting. Erode, Dilate, ...... -
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NLIGA
Open source Matlab code for nonlinear isogeometric analysis
A unified framework, NLIGA (Non-Linear Isogeometric Analysis), is developed for mainly solving two and three-dimensional nonlinear problems on the MATLAB platform by using isogeometric analysis (IGA). Nonlinear hyperelastic and elastoplastic materials are primarily considered at this stage. Newton-Raphson method is used to solve the nonlinear governing equations. A series of benchmark examples are performed to validate the procedures. The visualization procedures are also developed to... -
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VASPMO
Visualization of wavefunctions calculated by VASP (New release: v0.41)
VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of... -
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CheUP
Gromacs Topology Builder - OPLS AA Based. Support many charge model
...Main Features: 1. Generate GROMACS OPLS AA topology and structure (PDB, GRO, MOL2, etc) 2. Support quantum calculation for determining charge (MOPAC7.1 is included) 3. Calculate CM1A – LBCC and CM5 Charge Model 4. Read many files formats structure using Open Babel library and Quantum Output (MOPAC7.1, ORCA, GAUSSIAN, FIREFLY) 5. Nice Ways Adding Hydrogen -
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LIPRAS, Line-Profile Analysis Software
Peak fitting GUI for diffraction data
LIPRAS v466 LIPRAS [LEEP-ruhs], short for Line-Profile Analysis Software, is a graphical user interface for least-squares fitting of Bragg peaks in powder diffraction data. For any region of the inputted data, user can choose which profile functions to apply to the fit, constrain profile functions, and view the resulting fit in terms of the profile functions chosen. If you use LIPRAS for your research, please cite it: Giovanni Esteves, Klarissa Ramos, Chris M. Fancher, and Jacob L.... -
Skillfully - The future of skills based hiringSkillfully transforms hiring through AI-powered skill simulations that show you how candidates actually perform before you hire them. Our platform helps companies cut through AI-generated resumes and rehearsed interviews by validating real capabilities in action. Through dynamic job specific simulations and skill-based assessments, companies like Bloomberg and McKinsey have cut screening time by 50% while dramatically improving hire quality.
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CurvatureFilter
Curvature Filters are efficient solvers for Variational Models
These curvature filters were developed by Yuanhao Gong during his PhD studies. MC filter and TV filter are exactly the same as described in the paper. However, the GC filter is slightly modified. Please cite the following papers if you use a curvature filter in your work. Traditional solvers, such as gradient descent or Euler Lagrange Euqation, start at the total energy and use diffusion scheme to carry out the minimization. When the initial condition is the original image, the data fitting... -
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MoleculeViewer
View 3D molecule structure and plot 2D density map for CRYSTAL program
A Java sotware for viewing 3D molecule structure and plotting 2D density map. The atomic positions (coordinates) are read from files for the CRYSTAL and GAUSSIAN programs. Supported files: 1. *.xyz (molecule cartesian coordinates file) 2. *.gjf (GAUSSIAN's input file) 3. *.out (CRYSTAL98&2k's scf or properties output file) 4. fort.25 (CRYSTAL98&2k's ECHG(Electronic Charge Density) outpit file with fort.25 format). Molecule's 3D operations: Left drag : free rotate Right drag : zoom Left drag + CTRL : rotate along X-axis Left drag + SHIF T: rotate along Y-axis Left drag + ALT : rotate along Z-axis Left click : select and deselect atom Right click : select and deselect atom and show selected atom's serial number Doubble click : show all serial numbers Doubble click + CTRL : show molecule's axes When a atom is selected, you can see the distance between the two atoms by moving the mouse over the second atom. -
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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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jvqa
Video Quality Assessment in Java
...Indexes may be customized by selecting image structure statistic (variance, gradient, shifted gradient, 2/3/4-component gradient of variance), structure scale (full, downsampled to 256 or multiscaled), pooling window type (Gaussian, Box, Box with downsampling, or unfiltered) and size, index stabilization (logical or by constants) and luminance index (Gaussian, Box, Box with downsampling or no luminance index). -
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StabLe
An algorithm for learning stable graphical models from data
Stable Graphical Model Learning (StabLe) is an algorithm for learning the structure and parameters of stable graphical (SG) models from data. Stable random variables are motivated by the central limit theorem for densities with (potentially) unbounded variance and can be thought of as natural generalizations of the Gaussian distribution to skewed and heavy-tailed phenomenon. SG models are multi-variate stable distributions that represent Bayesian networks whose edges encode linear... -
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Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.
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JProGraM (PRObabilistic GRAphical Models in Java) is a statistical machine learning library. It supports statistical modeling and data analysis along three main directions: (1) probabilistic graphical models (Bayesian networks, Markov random fields, dependency networks, hybrid random fields); (2) parametric, semiparametric, and nonparametric density estimation (Gaussian models, nonparanormal estimators, Parzen windows, Nadaraya-Watson estimator); (3) generative models for random networks (small-world, scale-free, exponential random graphs, Fiedler random fields), subgraph sampling algorithms (random walk, snowball, etc.), and spectral decomposition.
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Simulates data from a gaussian/beta/piecewise-linear species response function on an environmental gradient, with different sampling (error) distributions. See "Cline (biology)" on wikipedia.org.
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sigMan is a utility for the analysis of time-dependent signals, especially electropherogram/chromatogram data. It is no longer being actively updated or maintained by me (Nathan Cermak) as of January 2011, for lack of any users.
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A library for fast computation of Gauss transforms in multiple dimensions, using the Improved Fast Gauss Transform and Approximate Nearest Neighbor searching. This library is useful for efficient Kernel Density Estimation (KDE) using a Gaussian kernel.
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Matlab Classification Toolbox contains implementations of the following classifiers: Naive Bayes, Gaussian, Gaussian Mixture Model, Decision Tree and Neural Networks. This toolbox allows users to compare classifiers across various data sets.
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eeral is a credit portfolio model for academic purposes. it allows to include various instruments like loans, backup lines, derivatives, n-th to default swaps etc. we start of with a vasicek gaussian factor model but will hopefully extend it further.
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MolStart is a molecular structure viewer and editor in Java. MolStart reads xyz, PDB, tinker, car and Gaussian input files. MolStart also includes force field parameters for protein and DNA atomic typing to add Hydrogen atoms.
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Pattern recognition system written in Java. Provide statistical informations about satellite and medical imagery; and also recognize symbols in a gaussian blur.
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SpamGAME is a statistical spam filter based on the GA.M.E. (GAussian Mono-dimensional Environment) algorithm for Text Categorization. It is written in Python and it should run on all platform having a Python interpreter.
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