Search Results for "numerical"
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Showing 47 open source projects for "numerical"
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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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Fosite - advection problem solver
numerical simulation code for solving transport equations in 1D/2D/3D
Fosite is a generic framework for the numerical solution of hyperbolic conservation laws in generalized orthogonal coordinates. Its main purpose is the simulation of compressible flows in accretion disks. The underlying numerical solution method belongs to the family of unsplit conservative finite volume TVD schemes. The method is 2nd order accurate in space and uses high order Runge-Kutta and multistep schemes for time evolution. -
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Madagascar is a software package for geophysical data processing and reproducible numerical experiments. The package mission is to provide a convenient environment for researchers working with digital image and data processing in geophysics and related fields.
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Quantum Information Toolkit is a comprehensive, easy-to-use interactive numerical toolkit for quantum information and computing, available for both MATLAB and Python.
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry. ... -
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water_hammer_simulation
A Qt application for water hammer simulation.
With differents numerical methods this application simulate the water hammer phenomenon. -
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WavePacket (Matlab/Octave)
Dynamics of quantum systems, controlled by external fields
WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, partly also classical or quantum-classical Liouville equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including quantum optimal control. ... -
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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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WaveTrain (Python)
Quantum dynamics of chain-like systems using tensor train formats
WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors. WaveTrain builds on the Python tensor train toolbox scikit_tt, which provides efficient construction methods, storage schemes, as well as solvers for eigenvalue problems and linear differential equations in the TT format. ... -
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Matrix Product State (MPS) Simulations
Numerical routines for variational matrix product state simulations.
Open Source MPS (OSMPS) is a collection of numerical routines for performing tensor network algorithms to simulate entangled, 1D many-body quantum systems. Our applications reach from ground state and excited states for statics to the dynamics of time-dependent Hamiltonians. We offer various time evolution methods with an emphasis on the support of long-range interactions through the matrix product state formalism. -
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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time excited-state TDDFT calculations. ...
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A command-line tool for numerical reconstruction of digital holograms (formerly known as "HoloPlay")
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SoAx
Structure of Arrays of multiple types
...By means of C++(11) meta-template programming SoAx achieves maximal performance (efficient use of vector units and cache of modern CPUs) while providing a very convenient user interface (including object-oriented element handling) and flexibility. It has been designed to handle list-like sets of particles (similar to struct {int id; double[3] pos; float[3] vel;};) in the context of high-performance numerical simulations. It can be applied to many other problems. Please check the sample file main.cpp to see examples of code that you can write with SoAx. -
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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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RAtom
solves nonlinear Kohn-Sham equation for the neutral atom.
RAtom solves nonlinear Kohn-Sham equation for the neutral atom. The adaptive algorithm based on finite element method (FEM) is implemented. Discretization of the differential eigenvalue problem is done by finite element method with Lobatto polynomials as a basis functions. High order Gauss quadratures are applied in order to obtain the total energy of atom with absolut accuracy of 1E-6 hartree. Disctretization leads to generalized eigenvalue problem, which is solved by procedures from... -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a toolkit for numerical simulation of distinguishable particles. It can solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. External electric fields can be added within the semiclassical dipole approximation, thus WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including quantum optimal control. ... -
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Lagrangian Dynamics NF Sims
Articulated-body simulation engine written in C
...Of course it is all based on finite-differece derivatives, both oridinary and partial. The new flavour relies on my first theorem on Numerical Methods,and the 1 on numerical stability Hope this piece of software will be useful to many. For more info,visit homepage. I will provide detailed documentation on how to use the engine to implment simulations of most types of articulated bodies, soon. Enjoy! Simon, (a.k.a.) 'The Nerd of Algorithms -
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Advanced Numerical Instruments 2D
Advanced numerical instruments: adaptive meshing, FE methods, solvers
Ani2D 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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EmulMultiFit
Simultaneously fit SAS data with polydisperse core-shell-shell spheres
Keywords: -simultaneously fit several SAXS and SANS data sets with polydisperse (Schultz-Zimm or Gaussian distribution f(R)) spherical core-shell-shell nanoparticles -analytical expressions are used for from factor F(Q) and its integral over f(R), no numerical integration required -absolute units -Mathematica is required via console (MathKernel) -Mathematica's local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters are possible -Monodisperse(!) hard sphere structure factor can be used, too -long computation times (depending on problem size and amount of constraints) from hours to a few days are possible -non-parallelized code -
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Runge
Runge is an Interactive Solver for Systems of Differential Equations
...It uses Runge Rule to adjust step length to satisfy required precision on each step. It's effective. When it needs to compute derivatives (Jacobian matrix, for example) it does that analytically, i.e. without using numerical methods. It's portable. It works on Windows and Linux 32 and 64 bit and Mac OS X 64 bit. It's open. It allows you to implement and embed your own algorithms (aka "solvers"). It's easy to use. It allows to export results to MS Excel and MATLAB. It's multilingual. It currently supports Englis and Russian languages. ... -
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lagrange_simulation_mechanics
simulations with Lagrangian method,both symbolic and by numeric deriv
alleged to the video 'tutorial' "the Mechanics and its Simulation". Simulation with Lagrangian method, both symbolic, and by numerical derivation. All well-grouped in folders. there is also a 'review' in 3 demos of the Newtonian dynamics: mass-spring systems. most of progs are written in C, with use of SDL lib to display simple graphics and have real-time interactivity. As to programming complexity, it's very simple... this all aims at classical physics simulation in a simple but efficient way. ... -
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NaRIBaS
Unix-based preparation and analysis toolbox for molecular simulations
...Task specific input and preparation or analysis function, are easy expandable to meet the scientific characteristic of constant changing properties. Concepts for efficiently storing and analysing large files in conjunction with graphical visualization and numerical data processing are presented in a Manual. A documented script collection that allows reproducing all simulations and analysis results presented in the Doctoral thesis of the author. -
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FLENS (Flexible Library for Efficient Numerical Solutions) is a C++ library for scientific computing. It can be considered as a very convenient and --- at the same time --- extremely efficient interface for BLAS and LAPACK. But it is much more than this
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LIME
LIME is a software tool for creating multiphysics simulation codes.
The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve di fferent parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defi ned approach (with example templates), and interface requirements to enable the... -
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DIFFR is a menu-driven graphical software whereby the problem of a plane wave diffraction on a rough surface can be solved using several numerical and approximate methods.
