Search Results for "open-shell" - Page 2
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Showing 1002 open source projects for "open-shell"
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Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
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astroTools
Command-line tools for astronomy and astrophysics
Command-line tools for astronomy and astrophysics, written in Fortran. -
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gVirtualXRay
Virtual X-Ray Imaging Library on GPU
gVirtualXRay is a C++ library to simulate X-ray imaging. It is based on the Beer-Lambert law to compute the absorption of light (i.e. photons) by 3D objects (here polygon meshes). It is implemented on the graphics processing unit (GPU) using the OpenGL Shading Language (GLSL). SimpleGVXR is a smaller library build on the top of gVirtualXRay. It provides wrappers to Python, R, Ruby, Tcl, C#, Java, and GNU Octave. -
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Simulation of ion beam irradiation
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oxDNA
A code primarily aimed at DNA and RNA coarse-grained simulations
The oxDNA code has been moved to https://github.com/lorenzo-rovigatti/oxDNA, please go there for new releases. -
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atomes
Analysis, visualization, edition of 3D atomistic models
atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. atomes is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
...WavePacket is suitable for teaching quantum mechanics as well as for research projects in physics and chemistry. The present C++ version is an object-oriented rewrite of the existing Matlab version aiming to be more flexible. In particular, the goals are easy handling of open and closed systems and support for unusual setups. -
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QSE is an application intended to help in the initial stages of data reduction of EXAFS data taken with multi-element detectors using the 'Spec' data acquisition system.
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A library of C codes for storing and managing nuclear reaction networks, that is, ensembles of nuclear species and reactions among them.
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http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
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Magnetic_Handicraft_Book
Magnetic Handicraft Book - free energy from the Cosmic Lattice
This TeX project compiles to a PDF document: Magnetic_Handicraft_Book.pdf The Magnetic Handicraft Book explains the use of magnets to slightly unbalance the Energy Cells of the Cosmic Lattice to gain free energy. The advice for this was given by The KRYON as channeled by Lee Carroll. Many technical / physical channelings from KRYON are included and are being referenced within the book. Magnetic patterning, magnetic gravity process within the atomic structure, time frame, matter,... -
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Zgoubi is a raytracing code. Since 1972 it pushes charged particles through accelerators and beam lines, by stepwise solution of Lorentz force equation - and their spins via Thomas-BMT differential equation. Zgoubi simulates beam dynamics and polarization in a variety of accelerators (storage ring, synchrotron, cyclotron, betatron, microtron, FFAG, multi-pass ERL, etc) and optical systems (beam lines, magnetic and electrostatic optical components, time-of-flight and mass...
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Analysis and display software targeted at space physics data. Installation instructions are at the bottom of the FILES directory. See documentation at https://qsas.sourceforge.io/QSAShelp/QSAS_help_index.html See also QSAS_Intro_June2018.pptx under FILES Contact: qsassupp@gmail.com E-Mail lists: qsas-users@lists.sourceforge.net qsas-discuss@lists.sourceforge.net
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QXRD is software for the acquisition and analysis of X-ray data taken with 2 dimensional detectors. The software can drive a Perkin Elmer XRD series flat panel detector and can be remote-controlled via a socket interface, or directly from SPEC
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CAMPARI
Software for molecular simulations and trajectory analysis
We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and... -
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schur
Interactive Program For Calculating Properties Of Symmetric Functions
Schur is a standalone program for interactively calculating properties of Lie groups and symmetric functions. Schur has been designed to answer questions of relevance to a wide range of problems of interest to chemists, mathematicians, computer scientists,... -
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Mantid Project (www.mantidproject.org)
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Quantum Shield Orbital Defense Detection
After 4/15/26 this project will be archived as 9 pipelines are conso
After 4/15/26 this project will be archived as 9 pipelines are consolidatrd and moving to QCAUS QUANTUM SHIELD ORBITAL DEFENSE DETECTION SYSTEM 🚀 Overview Quantum Shield is a revolutionary defense system leveraging quantum sensing technologies for superior detection capabilities against stealth aircraft, drones, missiles, and submarines. By utilizing quantum entanglement, superposition, and other quantum phenomena, the system offers detection ranges and capabilities far beyond... -
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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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Magnetar Quantum Vacuum Engineering
After 4/15/26 this project will be archived as 9 pipelines are
...QCAUS After 4/15/26 this project will be archived as 9 pipelines are consolidatrd and moving to QCAUS https://huggingface.co/spaces/QCAUS/QCAUS A collection of four interconnected open‑source projects that explore the quantum nature of the universe – from the early cosmos to extreme astrophysical environments. 📸 Live Demo Application is on Streamlit Cloud: Live App test now: https://huggingface.co/spaces/QCAUS/QCAUS https://huggingface.co/spaces/QCAUS/QCAUS QCI AstroEntangle Refiner – FDM soliton physics & image processing Magnetar QED Explorer – Magnetar fields, dark photons & vacuum QED Primordial Photon–DarkPhoton Entanglement – Von Neumann evolution in an expanding universe QCIS (Quantum Cosmology Integration Suite) – Quantum‑corrected cosmological perturbations 🔠Overview These four projects form a complete computational framework for quantum‑inspired astrophysics. -
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SeaBreeze
Open-source cross-platform spectrometer device driver
SeaBreeze is a device driver library that provides an interface to select Ocean Optics spectrometers. It is written in C/C++ and builds and runs on Windows (XP/7/8), MacOSX, and Linux (x86/x64/ARM). -
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A portable loudspeaker design system supporting measurement, modeling, simulation and optimization of boxes, filters and systems.
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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. In addition to the pure advection code several source terms... -
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Iterate is an implementation of the Bravais-lattice-finding algorithm from: Andrews and Bernstein, Acta Cryst. (1988). A44, 1009-1018 Lattices and Reduced Cells as Points in 6-Space and Selection of Bravais Lattice Type by Projections.
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LM317 Calculator
Calculates LM317 Linear Regulator for Debian/Linux
Calculates LM317 Linear Regulator for Debian/Linux My other programs: https://sourceforge.net/u/shampuan/profile My Github: https://github.com/shampuan There's something even better here: https://sourceforge.net/projects/qtronics-toolset/
