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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
A set of tools for simulating semiconductor nanostructures.
This software accompanies the textbook "Quantum Wells, Wires and Dots" (4th Edition), Paul Harrison and Alex Valavanis, Wiley, Chichester (2015).
It is adapted (by the same authors) from code that was originally supplied on a CD with the first edition of the book [1] and is now made available under the GPL3 license. In brief, we encourage everyone to use the software in your studies and research, to study and modify the source-code and to share it widely. However, you are not permitted to...
ephemeritis is to be a library for ephemeris calculations. When complete, it will provide an API for calculating the positions, the rise and set times, and related information about stars, planets, the Moon, and other astronomical objects.
AppSignal's MCP server hands Claude, Cursor, or Zed your real errors, traces, and the deploy that shipped them. AI writes the fix; you review the diff.
IFEFFIT is a library and set of interactive programs for the analysis of x-ray
absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art
analysis algorithms with graphical display of XAFS data, and general data
manipulation. It can be
This is the native MS windows release of OpenFOAM, an open source toolbox for Computational Fluid Dynamics (CFD). It was built with MinGW C++ as a set of native windows applications, which improves performance and eliminates the need for Unix emulations.
Vistools is a set of tools to easily visualize some scientific data, without need to learn difficult API, so you can see your 3d results very quickly. Also some sci tools for which we made it, including vector field tracing and simple optimization.
This project offers an uniformized way to interface a extented variety of analog-to-digital conv. chips to a computer that uses Windows. It is written in C as a set of plugin DLLs plus a central interface. The interface is intented to be VB compatible
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md-utils is a set of command line tools written in C designed to perform certain operations and analysis on the molecular dynamics data. The supported operations involve trajectory coordinate transformation to the COM system, Cartesian coordinate transformation to selected internal coordinates and to projected normal mode coordinates, trajectory merging, selecting subsets of trajectory frames, selecting subsets of atoms, permuting atoms, etc.