Search Results for "open-shell" - Page 5

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.

A package for transient and steady state simulation of organic solar cells.

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

SPINspiral is a parameter-estimation code for the analysis of gravitational-wave signals detected by LIGO/Virgo.

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...

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.

analyseMCMC post-processes, analyses and plots output from the LIGO/Virgo gravitational-wave inspiral parameter-estimation codes SPINspiral and lalinference_mcmc.

DIMTree is Tree View Browser for DIM system. The DIM is CERN designed Distributed Information Manager system, see http://dim.web.cern.ch/. DIM uses to create distributed DAQ and experiment control systems. DIMTree is browser for DIM which provides Tree View to browse DIM Servers, his published Services and it's data content. It's useful test/monitor/debug tool for DIM users.

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.

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...

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.

SciDAVis is a user-friendly data analysis and visualization program primarily aimed at high-quality plotting of scientific data. It strives to combine an intuitive, easy-to-use graphical user interface with powerful features such as Python scriptability.

A collection of codes that allow a user to store and use data on quantum levels in a system such as an atom, molecule, or nucleus.

Tcl/Tk support for the EPICS control system along with EPICS aware megawidgets. Note that as of September 27, 2023, development and new releases of this project will occur on github. See: https://github.com/FRIBDAQ/EpicsTcl

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...

Specfe is a graphical front end program intended to aid the use of the 'spec' data acquisition software. It can display interactive graphs of scanned data and present a user-friendly graphical interface to several of the more common spec commands.

Physics Simulation Software based on user sketchs running a pattern recognition agent, this app is able to animate a physics sketch, from a blackboard

...IMPORTANT FIXES in respect to base v2.0.0 version: v.2.5.0 introduces the Differential Attenuation and Cube Viewer utilities, and migrates user database to *.json files v2.4.3 fixes a with K element in the fit-approx method v2.4.3 fixes and issue where saving plots with fit-approx or a auto-wizard could freeze the software v2.4.2 introduces Image Viewer to Mosaic v2.4.1 fixes an issue in merging H5 or EDF datasets with Mosaic Full changelog at https://linssab.github.io/history X-Ray Fluorescence Imaging Software for Multiple Samples is an open source software to manipulate and study macro-X-Ray Fluorescence (MA-XRF) datasets. XISMuS also works as a sample management tool, where you can easily change between datasets (samples) and compare, cross-interact and normalize them.

CompPad is a LibreOffice extension that provides live mathematical and engineering calculations within a Writer document. It is intended to provide a free / open-source alternative to Mathcad .

Axiom is a computer algebra system. It consists of an interpreter, a compiler and a library of algorithms. Axiom is an excellent research platform as well as a useful tool for scientific programming.

OFELI (Object Finite Element LIbrary) is a library of finite element C++ classes for multipurpose development of finite element software. It is intended for teaching, research and industrial developments as well.

TRUST is no longer hosted on SourceForge! Please visit: https://github.com/cea-trust-platform/trust-code

'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.

bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite

cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.