Search Results for "open-shell" - Page 4
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Showing 1001 open source projects for "open-shell"
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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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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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This program manipulates representations of compact semi-simple Lie algebras. It can compute tensor products, (anti-)symmetric parts and the branching rules into maximal subalgebras.
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This program calculates excitation energies E0 and E2 transition strengths within the "Confined Beta Soft" nuclear structure model as described in [N. Pietralla and O. M. Gorbachenko, Phys. Rev. C 70, 011304(R) (2004)]. Parameter fits are possible.
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GXSM
Scanning Probe Microscopy Controller and Data Visualization Software
...High-Speed external PAC-PLL hardware option with digital DSP link. Based on several hardware options it supports a commercially available DSP hardware and provided also Open Source Code for all the low level signal processing tasks and instrument controls in a most flexible and adaptable manner. All latest software is available via SVN only or Live Demo/Install CD: http://www.ventiotec.de/linux/GXSM-Linux.iso -
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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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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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SpecTcl is a Tcl/Tk based histogrammer suitable for analysis of nuclear physics data. SpecTcl is relatively easy to learn, and is based on top of a very open C++ histogramming class framework. SpecTcl has been developed under NSF grant PHY-9528844 and DOE grant DE-SC0000661 Note that as of July 2023, all future development and release packages will be occur at https://github.com/FRIBDAQ/SpecTcl
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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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JDFTx
Joint Density Functional Theory
JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information. -
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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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PY-Nodes
Code for finding nodes in a material using first-principle approach.
PY-Nodes is a Python 3 based code designed for searching nodes (bands-degenerate points) associated with two or more bands in a given material using the first-principle approach. This code is helpful in efficient searching of the nodes present in the topological semimetals such as- Weyl semimetals, Dirac semimetals & nodal-line semimetals. The code is presently interfaced with the WIEN2k package. The algorithm of the code is based on the Nelder-Mead’s function-minimization approach. The code... -
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The NSCL Data Acquisition system is a general purpose nuclear physics data acquisition system in use at several university labs and, of course, the National Superconducting Cyclotron Laboratory at Michigan State University. The development of the NSCLDAQ is currently funded by DOE grant DE-SC0000661 Note that as of July, 2023 all development and release packages will be hosted at https://github.com/FRIBDAQ/NSCLDAQ
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SPINspiral
A gravitational-wave parameter-estimation code for LIGO/Virgo
SPINspiral is a parameter-estimation code for the analysis of gravitational-wave signals detected by LIGO/Virgo. -
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PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use...
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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. -
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analyseMCMC
Analyse output from MCMC codes like SPINspiral and lalinference_mcmc
analyseMCMC post-processes, analyses and plots output from the LIGO/Virgo gravitational-wave inspiral parameter-estimation codes SPINspiral and lalinference_mcmc. -
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QBlade
Wind Turbine Rotor Design and Simulation
QBlade 2.0 released!!!! QBlade 2.0 released!!!! QBlade 2.0 released!!!! This project page is discontinued, you find our new webpage at: https://qblade.org/ This project page wont be updated in the future, however, everything in the "Files" section and the Forum Content will remain avaliable to everyone... -
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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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XMD is a program for performing molecular dynamic simulations on metals and some ceramics materials at the atomic scale. It models atomic energies and dynamics using user defined pair potentialsl, EAM potentials and some hard coded potentials.
