Search Results for "open-shell"
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Showing 84 open source projects for "open-shell"
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Elmer finite element software
Open source finite element software for multiphysical problems
Elmer is a finite element software for numerical solution of partial differential equations and multiphysical problems. It includes models of structural mechanics, fluid dynamics, heat transfer, electromagnetics etc. Elmer home is www.csc.fi/elmer -
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librsb
A shared memory parallel sparse matrix library including Sparse BLAS.
librsb is a library for sparse matrix computations featuring the Recursive Sparse Blocks (RSB) matrix format. This format allows cache efficient and multi-threaded (that is, shared memory parallel) operations on large sparse matrices. The most common operations necessary to iterative solvers are available, e.g.: matrix-vector multiplication, triangular solution, rows/columns scaling, diagonal extraction / setting, blocks extraction, norm computation, formats conversion. The RSB format is... -
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FFTW++ is a C++ header class for the FFTW Fast Fourier Transform library that automates memory allocation, alignment, planning, wisdom, and communication on both serial and parallel (OpenMP/MPI) architectures. In 2D and 3D, hybrid dealiasing of convolutions substantially reduces memory usage and computation time. Wrappers for C, Python, and Fortran are included.
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overtureFramework
A framework for solving partial differential equations
Overture is a framework for solving partial differential equations (PDEs) in complex, possibly moving geometry. Overture uses overlapping grids to represent the geometry. The software includes grid generation capabilities, PDE solvers for fluids, solids, and fluid-structure interactions (FSI) as well as electromagnetics. -
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Generic data-assimilation toolbox written in java, with native (c and fortran) libraries for high performance computing. Provides tools to couple to your own model and a wide range of algorithms, ranging from parameter calibration to Kalman filters.
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sequoia-dap
SEQUOIA ocean data assimilation platform (a SIROCCO suite tool)
***** THIS PROJECT HAS MOVED TO https://gitlab.in2p3.fr/sirocco/sdap/sdap-dev ***** ***** THIS PROJECT HAS MOVED TO https://gitlab.in2p3.fr/sirocco/sdap/sdap-dev ***** ***** THIS PROJECT HAS MOVED TO https://gitlab.in2p3.fr/sirocco/sdap/sdap-dev ***** Within the SIROCCO suite of numerical tools, the purpose of SDAP is to provide a flexible platform to carry out multivariate assimilation of geophysical data in a numerical model. The program is multi-grid (finite differences or finite... -
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MaxFEM
Software for electromagnetic simulation
MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. Since version 0.4.0, MaxFEM requires Python 3. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them. -
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libdspl-2.0
libdspl-2.0 is opensource cross-platform digital signal processing alg
libdspl-2.0 — opensource cross-platform digital signal processing algorithm library, written in C language. Distributed under LGPL v3 license. This allows to use this library in all applications with dynamic linking. -
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The MetCal/SPA package provides diagnostic resources for users and developers of meteorological apps. The Shared Procedure Archive is a dynamic set of file I/O, analysis routines and APIs for third party packages accessible through the MetCal GUI.
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Wings for NONMEM (wfn) is a set of DOS batch files and awk scripts to make the use of NONMEM more convenient. Simpler NONMEM execution: nmgo runname Extended control stream with user defined names for THETA(), etc. Automatic structured output ...
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The PDL module gives standard perl the ability to COMPACTLY store and SPEEDILY manipulate the large N-dimensional data sets that are the bread and butter of scientific computing.
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HMD Mathematics
Numerical mathematics platform, Matlab alternative
Matlab alternative. Scilab alternative. GNU Octave alternative. Mathematics software for numerical computation. Ordinary differential equations solver and finite elements solver. It has a console script interpreter, as well as a graphical interface script interpreter, for entering equations and statements, and a line plot display. -
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statTools
Command-line tools for simple statistics
statTools contains command-line tools for simple statistics -
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APBS
Biomolecular electrostatics software
This software has moved to http://www.poissonboltzmann.org/. -
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ATLAS (Automatically Tuned Linear Algebra Software) provides highly optimized Linear Algebra kernels for arbitrary cache-based architectures. ATLAS provides ANSI C and Fortran77 interfaces for the entire BLAS API, and a small portion of the LAPACK AP
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Freemat is an interpreted, matrix-oriented development environment for engineering and scientific applications, similar to the commercial package MATLAB. Freemat provides visualization, image manipulation, and plotting as well as parallel programming.
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Advanced Numerical Instruments 3D
Advanced numerical instruments: adaptive meshing, FE methods, solvers
Ani3D provides portable libraries for each step in the numerical solution of systems of PDEs with variable tensorial coefficients: (1) unstructured adaptive mesh generation, (2) metric-based mesh adaptation, (3) finite element discretization and interpolation, (4) algebraic solvers. -
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MatLisp is a package for Common Lisp for handling matrices with real-valued or complex-valued elements. BLAS is used for elementary matrix operations and LAPACK is used for linear algebra routines.
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erf
error function and related functions in pure standard Fortran 2008
Fortran 2008 added 3 new intrinsic functions: erf, erfc, erfc_scaled. However, they take only real arguments. This package provides a BSD licensed Fortran 2008 module with erf(z), where z is a complex argument. The calculation is based on calculating w(z), the Faddeyeva (plasma dispersion) function. Two algorithms are implemented: TOMS 680 and 916, http://www.netlib.org/toms/. The simple test program calculates values in the Abramowitz, Stegun. -
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hyperGK
Gauss-Kronrod quadrature on several variables.
hyperGK is a collection of C++ classes for parallelized numerical integration on several variables. The integrations are performed using Gauss-Kronrod quadrature. hyperGK is inspired and, to some extent, based on Quadpack, but generalized to multiple integrals on either rectangular regions or more general regions. This package is still under development. Usage examples can be found in the demonstration subdirectory. -
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GADfit
Global nonlinear optimization with automatic differentiation
NOTE: Development continued at GitHub! Current version is higher than 1.2.0. GADfit is a Fortran implementation of global nonlinear curve fitting, based on a modified Levenberg-Marquardt algorithm. Global fitting refers to fitting many datasets simultaneously with some parameters shared among the datasets. The fitting procedure is very fast and accurate thanks to the use of automatic differentiation. The model curves (fitting functions) can be of essentially arbitrary complexity. This... -
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This project provides a Fortran90 library and a python module for singular spectrum analyses such as PCA/EOF or MSSA. It is intended for people interested, for example, in analysing climate or financial variability.
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AUTO is a publicly available software for continuation and bifurcation problems in ordinary differential equations originally written in 1980 and widely used in the dynamical systems community.
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The Moving Finite Elements project hosts a collection of simulation codes for time-dependent PDE systems that implement various forms of Keith Miller's gradient-weighted moving finite element (GWMFE) method. The Calliope sub-project aims to provide new reference implementations in modern object-oriented Fortran. Click on the Calliope tab on the main project menu bar.
