Search Results for "open-shell" - Page 4
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Showing 373 open source projects for "open-shell"
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DynamicalBilliards.jl
An easy-to-use, modular, extendable and absurdly fast Julia package
A Julia package for dynamical billiard systems in two dimensions. The goals of the package is to provide a flexible and intuitive framework for fast implementation of billiard systems of arbitrary construction. -
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ColorSchemes.jl
colorschemes, colormaps, gradients, and palettes
Color schemes, colormaps, gradients, and palettes. Choose ColorSchemes with care. Refer to Peter Kovesi's PerceptualColourMaps package, or to Fabio Crameri's Scientific Colour Maps for more information. If you want to make more advanced ColorSchemes, use linear-segment dictionaries or indexed lists, and use functions to generate color values, see the make_colorscheme() function in the ColorSchemeTools.jl package. -
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ExponentialUtilities.jl
Fast and differentiable implementations of matrix exponentials
ExponentialUtilities is a package of utility functions for matrix functions of exponential type, including functionality for the matrix exponential and phi-functions. These methods are more numerically stable, generic (thus support a wider range of number types), and faster than the matrix exponentiation tools in Julia's Base. The tools are used by the exponential integrators in OrdinaryDiffEq. The package has no external dependencies, so it can also be used independently. -
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GDAL.jl
Thin Julia wrapper for GDAL - Geospatial Data Abstraction Library
Julia wrapper for GDAL - Geospatial Data Abstraction Library. This package is a binding to the C API of GDAL/OGR. It provides only a C style usage, where resources must be closed manually, and datasets are pointers. Other packages can build on top of this to provide a more Julian user experience. See for example ArchGDAL.jl. Most users will want to use ArchGDAL.jl instead of using GDAL.jl directly. -
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JUDI.jl
Julia Devito inversion
JUDI is a framework for large-scale seismic modeling and inversion and is designed to enable rapid translations of algorithms to fast and efficient code that scales to industry-size 3D problems. The focus of the package lies on seismic modeling as well as PDE-constrained optimization such as full-waveform inversion (FWI) and imaging (LS-RTM). Wave equations in JUDI are solved with Devito, a Python domain-specific language for automated finite-difference (FD) computations. JUDI's modeling... -
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GLFW.jl
Julia interface to GLFW, a multi-platform library for creating windows
Julia interface to GLFW 3, a multi-platform library for creating windows with OpenGL or OpenGL ES contexts and receiving many kinds of input. GLFW has native support for Windows, OS X and many Unix-like systems using the X Window System, such as Linux and FreeBSD. -
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Metal.jl
Metal programming in Julia
With Metal.jl it's possible to program GPUs on macOS using the Metal programming framework. The package is a work in progress. There are bugs, functionality is missing, and performance hasn't been optimized. Expect to have to make changes to this package if you want to use it. PRs are very welcome. These requirements are fairly strict, and are due to our limited development resources (manpower, hardware). Technically, they can be relaxed. If you are interested in contributing to this, see... -
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Tullio.jl
Tullio is a very flexible einsum macro
Tullio is a very flexible einsum macro. It understands many array operations written in index notation -- not just matrix multiplication and permutations, but also convolutions, stencils, scatter/gather, and broadcasting. Used by itself the macro writes ordinary nested loops much like Einsum.@einsum. One difference is that it can parse more expressions, and infer ranges for their indices. Another is that it will use multi-threading (via Threads.@spawn) and recursive tiling, on large enough arrays. -
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NBInclude.jl
import code from IJulia Jupyter notebooks into Julia programs
NBInclude is a package for the Julia language that allows you to include and execute IJulia (Julia-language Jupyter) notebook files just as you would include an ordinary Julia file. The goal of this package is to make notebook files just as easy to incorporate into Julia programs as ordinary Julia (.jl) files, giving you the advantages of a notebook (integrated code, formatted text, equations, graphics, and other results) while retaining the modularity and re-usability of .jl files. -
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DiffOpt.jl
Differentiating convex optimization programs w.r.t. program parameters
DiffOpt.jl is a package for differentiating convex optimization programs (JuMP.jl or MathOptInterface.jl models) with respect to program parameters. Note that this package does not contain any solver. This package has two major backends, available via the reverse_differentiate! and forward_differentiate! methods, to differentiate models (quadratic or conic) with optimal solutions. Differentiable optimization is a promising field of convex optimization and has many potential applications in... -
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InteractiveViz.jl
Interactive visualization tools for Julia
Julia already has a rich set of plotting tools in the form of the Plots and Makie ecosystems, and various backends for these. So why another plotting package? InteractiveViz is not a replacement for Plots or Makie, but rather a graphics pipeline system developed on top of Makie. It has a few objectives. To provide a simple API to visualize large or possibly infinite datasets (tens of millions of data points) easily. To enable interactivity, and be responsive even with large amounts of data.... -
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HCubature.jl
Pure-Julia multidimensional h-adaptive integration
The HCubature module is a pure-Julia implementation of multidimensional "h-adaptive" integration. then hcubature(f, a, b) computes the integral, adaptively subdividing the integration volume into smaller and smaller pieces until convergence is achieved to the desired tolerance (specified by optional rtol and atol keyword arguments. Because hcubature is written purely in Julia, the integrand f(x) can return any vector-like object (technically, any type supporting +, -, * real, and norm: a... -
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Optimization.jl
Mathematical Optimization in Julia
Optimization.jl provides the easiest way to create an optimization problem and solve it. It enables rapid prototyping and experimentation with minimal syntax overhead by providing a uniform interface to >25 optimization libraries, hence 100+ optimization solvers encompassing almost all classes of optimization algorithms such as global, mixed-integer, non-convex, second-order local, constrained, etc. It allows you to choose an Automatic Differentiation (AD) backend by simply passing an... -
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NonlinearSolve.jl
High-performance and differentiation-enabled nonlinear solvers
Fast implementations of root-finding algorithms in Julia that satisfy the SciML common interface. For information on using the package, see the stable documentation. Use the in-development documentation for the version of the documentation that contains the unreleased features. NonlinearSolve.jl is a unified interface for the nonlinear solving packages of Julia. The package includes its own high-performance nonlinear solvers which include the ability to swap out to fast direct and iterative... -
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PowerSimulations.jl
Julia for optimization simulation and modeling of PowerSystems
PowerSimulations.jl is a Julia package for power system modeling and simulation of Power Systems operations. Provide a flexible modeling framework that can accommodate problems of different complexity and at different time scales. Streamline the construction of large-scale optimization problems to avoid repetition of work when adding/modifying model details. Exploit Julia's capabilities to improve computational performance of large-scale power system quasi-static simulations. The flexible... -
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FileTrees.jl
Parallel file processing made easy
Easy everyday parallelism with a file tree abstraction. Read a directory structure as a Julia data structure, (lazy-)load the files, apply map and reduce operations on the data while not exceeding available memory if possible. Make up a file tree in memory, create some data to go with each file (in parallel), write the tree to disk (in parallel). FileTrees is a set of tools to lazy-load, process and save file trees. Built-in parallelism allows you to max out all threads and processes that... -
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Pkg Julia
Package manager for the Julia programming language
Unlike traditional package managers, which install and manage a single global set of packages, Pkg is designed around “environments”: independent sets of packages that can be local to an individual project or shared and selected by name. The exact set of packages and versions in an environment is captured in a manifest file which can be checked into a project repository and tracked in version control, significantly improving reproducibility of projects. If you’ve ever tried to run code you... -
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Query.jl
Query almost anything in julia
Query is a package for querying julia data sources. It can filter, project, join and group data from any iterable data source, including all the sources supported in IterableTables.jl. One can for example query any of the following data sources: any array, DataFrames, DataStreams (including CSV, Feather, SQLite, ODBC), DataTables, IndexedTables, TimeSeries, Temporal, TypedTables and DifferentialEquations (any DESolution). The package currently provides working implementations for in-memory... -
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SymEngine.jl
Julia wrappers of SymEngine
Julia Wrappers for SymEngine, a fast symbolic manipulation library, written in C++. -
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Term.jl
Julia library for stylized terminal output
Julia library for stylized terminal output. -
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Accessors.jl
Update immutable data
The goal of Accessors.jl is to make updating immutable data simple. It is the successor of Setfield.jl. -
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HypothesisTests.jl
Hypothesis tests for Julia
HypothesisTests.jl is a Julia package that implements a wide range of hypothesis tests. -
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DSP.jl
Filter design, periodograms, window functions
DSP.jl provides a number of common digital signal processing routines in Julia. -
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KernelDensity.jl
Kernel density estimators for Julia
Kernel density estimators for Julia. -
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Clustering.jl
A Julia package for data clustering
Methods for data clustering and evaluation of clustering quality.
