Search Results for "z-matrix"
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Showing 31 open source projects for "z-matrix"
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NumeRe
Framework for numerical computations, data analysis and visualisation
Curve fitting | Data analysis | Plotting | Matrix operations | FFT | Extensible framework | Multiple file formats | Programmable | Open source | Free for everyone NumeRe: Framework for Numerical Computation is a numerical framework written for Microsoft Windows(R) and released under the GNU GPL v3 for solving and visualizing mathematical and physical problems numerically. -
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REDUCE
A Portable General-Purpose Computer Algebra System
REDUCE is an interactive system for general algebraic computations of interest to mathematicians, scientists and engineers. It can be used interactively for simple calculations but also provides a flexible and expressive user programming language. The development of the REDUCE computer algebra system was started in the 1960s by Anthony C. Hearn. Since then, many scientists from all over the world have contributed to its development. REDUCE has a long and distinguished place in the... -
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Motofit co-refines Neutron and X-ray reflectometry data, using the Abeles matrix / Parratt recursion and least squares fitting (Genetic algorithm or Levenberg Marquardt). It works in the IGOR Pro environment (TM Wavemetrics).
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DBRplot
Plots reflectivity response of Distributed Braggs Reflector mirrors
...Read 'readme.txt' file before you use this application. Also, have a look at the "Fabry-Perot cavity" diagram to get a feel of the structure of your cavity. The code is written based on the Transfer Matrix Method for TE incidence. Clever insertion of the input parameters in the GUI will let you simulate the reflectivity response of many physical systems on a substrate such as various DBR mirror cavities and DBR mirrors. The future release includes: 1. Complete flexibility on the cavity thickness 2. Surface plots of reflectance against angle and wavelength 3. ... -
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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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Insensitive
NMR spin dynamics simulation
Insensitive (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education) is an application to simulate the NMR experiment based on the quantum mechanical density matrix formalism. It is available for Mac OS X 10.6 and above and iOS 5.1.1 and above. Please refer to the paper published in Concepts In Magnetic Resonance, 2011, 38A (2), 17-24. -
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Matrix Product State (MPS) Simulations
Numerical routines for variational matrix product state simulations.
...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. For more algorithms, see the list of features below. Please cite "M. L. Wall and L. D. Carr, New J. Phys. 14, 125015 (2012)" and "D. Jaschke, M. L. Wall, and L. D. Carr, Computer Physics Communications 225, 59–91 (2018)" if your publication involves OSMPS. -
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DMRG-MPO
Density Matrix Renormalization Group to a general MPO
Ground state and dynamics of a Matrix Product Operator -
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Qutranpy
Interactive electronic quantum transport
Interactive program to perform quantum transport calculations by means of the Landauer and scattering matrix formalism, in a two terminal geometry. The Hamiltonians of leads and scattering region can be modified, adding exchange fields, mass, spin-orbit coupling or superconductivity. -
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Acoustic Research Tool (ART)
Acoustic Simulation Library for Frequency and Time Domain Simulations.
...So far bore discontinuities, branches, tone holes, cylindrical and conical tubes, Bessel horns and bent tubes are available for frequency domain modelling. In the time domain generic bidirectional propagation elements, scattering elements, fractional delays, convolution with reflection functions and general z-domain networks are available and can be described using MuParserX expressions. Cylindrical and conical ducts can also be defined based on their geometry. Available models and their parameters can be enumerated and combined to form simulators for complex acoustical structures. Parameters can be specified symbolically by expressions containing other parameter values or global variables. ... -
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DD-AVX ver.2
Library of High Precision Sparse Matrix Operations Accelerated by AVX
．．．．hogehoge -
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RAtom
solves nonlinear Kohn-Sham equation for the neutral atom.
...Disctretization leads to generalized eigenvalue problem, which is solved by procedures from LAPACK libraries. The program is implemented in C++, it runs as a single thread. The implemented algorithm is described in the following papers: 1. Z. Romanowski, "Adaptive solver of a Kohn-Sham equation for an atom", Modelling Simul. Mater. Sci. Eng. vol. 17, 045001 (2009) 2. Z. Romanowski, "Application of h-adaptive, high order finite element method to solve radial Schrödinger equation", Molecular Physics, vol. 107, pp. 1339-1348 (2009). Further questions: romz@wp.pl -
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CPPLapack is a c++ class wrapper for BLAS, LAPACK and PARDISO. Its special features are the followings. [1]User-friendly interface [2]Hi-speed matrix calculations using BLAS and LAPACK [3]Minimized number of copy times using Smart Temporary system
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N-Dimensional Matrix Library
C Library for manipulating N-dimensional (ND) matrices and arrays.
N-Dimensional Matrix Library is a library for creating and manipulating N-dimensional matrices (arrays) in C. For more details, please see the README.md file. -
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SciEnPlot
Data Plotting and Analysis for Science and Engineering
- Save and open a Work/Project (spf) file - Single fitting/ Batch fitting (user defined custom func) - Matrix to XYZ in Tool menu - Symbol plot: makers, curve, landscape, bar, etc. - Implemented a 3d surface plot (GLSurface) based on OpenGL (ScienPlot v1.3.2 and above) - ColorMap surface, trisurface, Pie, Polar plots, and 3D height field, 3dBar, scatter plots (under developing), and more - Column by column plotting/calculation - LaTex commands enclosed by $ symbols can be used for the labels in Graph - Accept txt(Text) and csv(Comma separated values) formatted data - Save, copy, print Graph - Use spread sheets to display data - Textboard to organize the results - Graphs in a publishable quality - Source codes based on: Python Numpy Scipy Matplotlib WxPython Visvis etc... -
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LaserCalc
Simulating optical systems
LaserCalc is an Open Source wxWidgets application for the calculation of optical beam paths and laser resonators based on Gaussian beam matrix optics. In addition beam paths can be optimized to match given beam parameters (mode matching). -
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YAFEMS
Yet Another Finite Element Method Solver
YAFEMS (Yet Another Finite Element Method Solver) is a FEM solver for Linux and WIndows that reads a MED mesh file produced by Salome (http://www.salome-platform.org/) with certain groups created into the mesh, and with the help of an input text file (.yaf), performs a 3D or 2D plane stress or plane strain analysis and creates results in plain text format and in MED format. This way a complete analysis can be carried inside Salome, where a mesh file can be created, exported and read by... -
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Runge
Runge is an Interactive Solver for Systems of Differential Equations
...It's precise. 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. ... -
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C implementation of the Transfer Matrix Method (TMM) in Acoustics running under Linux and Windows. It features various models for the prediction of sound absorption of acoustical porous materials and aims for capabilities similar to commercial products.
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OFR Analysis Tool
For the analysis of output data from the OFR method
The OFR method is a type of steered molecular dynamics method for determining potentials of mean force (PMF) (Phys. Rev. E, 2011, 83: 021114) and local diffusion coefficients, D(z) (Phys. Rev. E, 2012, 86: 036707). OFR-AT is a fast and convenient program for analyzing large output data files from the OFR method, and returns the information necessary to quickly and easily calculate the PMF and D(z) in a spreadsheet. The software is described in detail in the following article: J. Comp. Phys., 231(11): 4355-4364. -
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easyNRG
A simple MATLAB implementation of Wilsons NRG-method
...There is no calculation for any thermodynamic quantaties. The implementation is very slow and rather for educational purposes to get an idea of the NRG-method. For example: it is not considered, that only matrix elements between states, whos occupation number differs by one and S_z differs by 1/2. There is only implicit parallelisation implemented by vectorizing the time consuming parts of the code. This code is licensed under the CC BY-SA 3.0 license (http://creativecommons.org/licenses/by-sa/3.0/, http://creativecommons.org/licenses/by-sa/3.0/legalcode) -
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FAZIA DAQ
The aim of FAZIA project is to build a 4Pi array for charged particles
The FAZIA project groups together more than 10 institutions in Nuclear Physics, which are working in the domain of heavy-ion induced reactions around and below the Fermi energy (10-100AMeV). The aim of the project is to build a 4Pi array for charged particles, with high granularity and good energy resolution, with A and Z identification capability over the widest possible range. It will use the up-to-date techniques concerning detection, signal processing and data flow, with full digital electronics. Neutron detection is also foreseen via the collaboration with the NEUTROMANIA group. FAZIA is designed to operate at stable and radioactive beams facilities like LNL-Legnaro, LNS-Catania in Italy, GANIL-SPIRAL and SPIRAL2 in France, GSI-FAIR in Germany in the horizon 2010-2015. ... -
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3 levels density matrix simulation. Currently it enables you to get time solvetions for three-level systems. It's generates files with time solvetions for density matrix. In the future It will solve multilevel atomic system on MPI.
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Header defined, generic C++ Vector and Matrix classes for engineering, scientific, or mathematical needs. A more intuitive, lightweight substitute for the larger linear algebra libraries available.
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FGH is program that solves vibrational Schroedinger equation using the Fourier grid hamiltonian method. The program requires potential energy surface and G-matrix defined at the uniform grid of points.
