Search Results for "open-shell" - Page 3
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Showing 841 open source projects for "open-shell"
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QtCDB2 is new rewritten software for Coincidence Doppler Broadenning of Positron Annihilation line measurement. Instead of old QtCDB, this version doesnt need external trigger chain. Software is based on Qt and Qwt libraries. Adlink PCI-9820 or other Adlink wd-dask based DAQ is needed to run binaries. HpGe Preamplifier gain 500mV/MeV is needed to correct work.
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NumeRe::Packages
The central package repository for NumeRe
This is the central repository for publicly available NumeRe packages. You can access the files in this repository either via SVN (see Repository tab) or directly with the built-in package repository browser. Using the repository browser, you can install packages with one click. If you like to add your package to the repository, please contact us using Discord: https://discord.gg/s5tSjwU -
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Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
We present the package Optimizer, aimed at constructing and optimizing general mathematical models of phenomena of versatile nature. It is written in the Matlab algorithmic language and is executed in the Matlab environment with partial functionality in Octave. The convenient visual interface and the detailed manuals are provided. The main benefit of the package is its capability to construct models of any level of complexity in a block-by-block manner. Elementary model blocks can be... -
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Magnetar Quantum Vacuum Engineering
NOTICE OF CONSOLIDATION & PARTNERSHIP PENDING As of April 2026, the 20
NOTICE OF CONSOLIDATION & PARTNERSHIP PENDING As of April 2026, the 20 pipelines of the QCAUS/PDPBioGen suites are undergoing consolidation for high-scale institutional research. Core 'Ford 2026' algorithms remain the proprietary IP of the Ford Peace aJustice Foundation. Academic users at partner institutions are currently performing validation; all other commercial inquiries must contact the author.quantum nature of the universe – from the early cosmos to extreme astrophysical... -
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Units of measurement for Ada
Handling dimensioned values in Ada
The library provides an implementation of dimensioned values for Ada. Unit checks are made at run-time, if not optimized out by the compiler. SI and irregular measurement units are supported. Shifted units like degrees Celsius are supported too. Conversions from and back to strings are provided for all various irregular units. An extensive set of GTK widgets for dealing with dimensioned values is included, though use of GTK is not mandatory for the rest of the library. -
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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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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :... -
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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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IF97
Water & steam properties Java library
Steam tables for industrial use according to the international standard for the properties of water and steam, the IAPWS-IF97 formulation and the international standards for transport and other properties. Hummeling Engineering BV develops engineering software in the fields of thermodynamics, mechanics, hydrodynamics, and digital signal processing. -
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GSvit
Fast FDTD solver with graphics card support
Fast FDTD solver with graphics card support. Optimized for nanoscale optics - scanning near field optical microscopy, rough surface scattering and solar cells. Uses CUDA environment for graphics card operation. -
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Python Laboratory Operations Toolkit
many useful snippets for using python in a laboratory
A toolkit of Python software useful in a laboratory data acquisition and analysis environment. Includes support for such protocols as VXI-11 (and its extension, LXI), Vernier LabPro (now very old), and National Instruments DSTP (now very old). Also includes data analysis and modelling tidbits. Python3 updates are on the way in the very near future for the biggest packages. the vxi11 package is fully up-to-date, although see the blog post about python 3.13 -
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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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jOcular
Optical Design Software for simulating systems of lenses, prisms, etc.
Optical Design Software for optical systems comprised of light sources, lenses, apertures, prisms, imagers, photometers, etc. Simulate light through the system and compute images and intensities at various locations in the design. -
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ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
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DBRplot
Plots reflectivity response of Distributed Braggs Reflector mirrors
A free windows software for designing and modelling of dielectric anti-reflection coating and Fabry-Perot cavity effects based on Distributed Braggs Reflector (DBR) 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... -
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pfcalc is a pipe friction calculator using the Darcy-Weisbach equation. gpfcalc is a Gtk front-end for pfcalc. Qpfcalc is a Qt front-end for pfcalc.
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DataMelt
Computation and Visualization environment
DataMelt (or "DMelt") is an environment for numeric computation, data analysis, computational statistics, and data visualization. This Java multiplatform program is integrated with several scripting languages such as Jython (Python), Groovy, JRuby, BeanShell. DMelt can be used to plot functions and data in 2D and 3D, perform statistical tests, data mining, numeric computations, function minimization, linear algebra, solving systems of linear and differential equations. Linear, non-linear... -
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Frame3DD
Static and Dynamic Structural Analysis of 2D and 3D frames.
FRAME3DD is a program for the static and dynamic structural analysis of two- and three-dimensional frames and trusses with elastic and geometric stiffness. -
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Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
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GridLAB-D is a new power system simulation tool that provides valuable information to users who design and operate electric power transmission and distribution systems, and to utilities that wish to take advantage of the latest smart grid technology. It incorporates advanced modeling techniques with high-performance algorithms to deliver the latest in end-use load modeling technology integrated with three-phase unbalanced power flow, and retail market systems. Historically, the inability...
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Kanon
A tool for examining renormalizable field theories (physics).
A tool for physics/field theory. Allows to a assemble an action integral interactively by drag and drop. Checks whether the action integral is scale invariant. Allows to determine additional marginal interactions. Contains data of dozens of renormalizable field theories. -
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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. -
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SidClock
*nix Sidereal Clock
*nix Sidereal Clock Application -
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QuickPlot
Simple user interface for gnuplot aimed for reflectometry data
Graphical user interface for gnuplot to create publication quality figure very quickly. It supports templates for fast formatting of graphics, different plot styles, insets, axis and label options. One important feature is storing metadata in png and pdf files that can be used to reload any graph saved with QuickPlot.
