Search Results for "open-shell" - Page 2
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Showing 1222 open source projects for "open-shell"
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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. Keep simple things simple: You want to plot a sine function? Just enter 'plot sin(x)'. -
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Madagascar is a software package for geophysical data processing and reproducible numerical experiments. The package mission is to provide a convenient environment for researchers working with digital image and data processing in geophysics and related fields.
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Wcalc
A powerful arbitrary-precision calculator.
Wcalc is a powerful arbitrary-precision calculator. It has standard functions (sin, asinh, logtwo, floor, etc), many pre-defined constants (pi, e, c, etc.), variables, "active" variables, command history, and hex/octal/binary i/o, conversions, and more -
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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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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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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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MCE - Marching Cube ELD
Crystallographic software for displaying voxel maps - electron density
MCE is an crystallographic experimental program for 3D and 2D electron density map visualization. The software is mainly focused on visualization of ELD calculated from X-ray diffraction data of small molecules, but it will work for small proteins as well. Download the installation file (default download) or find in "Files" the zip-file with instant copy of the program which does not require the installation. -
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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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Quantum Shield Orbital Defense Detection
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 and Justice Foundation. Academic users at partner institutions are currently performing validation; all other commercial inquiries must contact the author QUANTUM SHIELD ORBITAL DEFENSE DETECTION SYSTEM 🚀 Overview Quantum Shield is... -
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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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Mantid Project (www.mantidproject.org)
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ransfoil
console to calculate airflow around an airfoil based on RANS approach
RANSFOIL is a console program to calculate airflow field around an isolated airfoil in low-speed, subsonic, transonic or supersonic regime by numerically solving the Reynolds averaged Navier-Stokes (RANS) equations using mature computational fluid dynamics (CFD) method. As postprocess results, the aerodynamic parameters of the airfoil, e.g., lift coefficient and drag coefficient, can be integrated from the airflow distribution near wall boundary. In addition, the coupling between airflow and... -
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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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GWtool
Simple tools for working with gravitational waves
GWtool: simple tools for working with gravitational waves -
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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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Scalar-Defense-System
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 and Justice Foundation. Academic users at partner institutions are currently performing validation; all other commercial inquiries must contact the author Scalar Defense leverages wave-like properties of Fuzzy Dark Matter to detect, track... -
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xrayutilities
a package with useful scripts for X-ray diffraction physicists
xrayutilities is a python package used to analyze x-ray diffraction data. It can support with performing diffraction experiments and used for common steps in the data analysis. It can read experimental data from several data formats (spec, edf, xrdml, ...); convert them to reciprocal space for arbitrary goniometer geometries and different detector systems (point, linear as well as area detectors); for further processing the data can be gridded (transformed to a regular grid). More... -
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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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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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XMDS
Fast integrator of stochastic partial differential equations
XMDS is a code generator that integrates equations. You write them down in human readable form in a XML file, and it goes away and writes and compiles a C++ program that integrates those equations as fast as it can possibly be done in your architecture. -
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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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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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Tempico software
Software to control and analyze Tausand Tempico timing data
Tempico Software is designed to control the Tausand Tempico TP1004 and TP1204 devices, a time-to-digital converter that captures temporal differences from a common start signal across multiple channels. The software generates histograms from captured data, supports lifetime measurements via single-photon correlation (SPC), and displays real-time graphs with adjustable fitting options. It includes a 'Counts Estimation' panel to estimate count rates per channel over time, and a 'Time Stamping'... -
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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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AMSACommonSW
Common software for AMS-A
Common software for AMS-A
