Search Results for "open-shell" - Page 2
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641 projects for "open-shell" with 2 filters applied:
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Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
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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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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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astroTools
Command-line tools for astronomy and astrophysics
Command-line tools for astronomy and astrophysics, written in Fortran. -
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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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AI-generated apps that pass security reviewRetool lets you generate dashboards, admin panels, and workflows directly on your data. Type something like “Build me a revenue dashboard on my Stripe data” and get a working app with security, permissions, and compliance built in from day one. Whether on our cloud or self-hosted, create the internal software your team needs without compromising enterprise standards or control.
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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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QInterference
Double slit experiment visualization tool loving multicore processors
QInterference can visualize batch of double slit experiments. It can also solve it in radial as well as Cartesian coordinates and moreover it can simulate functionality the phase-array radar with the main-bundle deflection. -
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This project delivers Linux support (USB driver and Tools) for a Digital Signal Processor (DSP) cards of the Signal Ranger series, see http://www.softdb.com/product_dsp.shtml for details) connected to a Linux host via USB.
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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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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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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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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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ED Software project contains several programs used (mostly) for processing gas-phase electron diffraction (GED) experimental data.
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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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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 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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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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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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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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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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SidClock
*nix Sidereal Clock
*nix Sidereal Clock Application -
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