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A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit
orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided.
...
...Includes among others
* a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data).
* a Leica file reader,
* Steindhard bond orientational order calculation
* a VTK file writer
1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)
A Python IDE optimized for scripting and easy access to documentation.
Not a whole lab, just a small bench !
**Feel free to contact me via https://sourceforge.net/sendmessage.php?touser=1865508 if you want to take over this project**
Mathbench is intended for the development of short scripts such as those daily used when doing research in applied mathematics and physics. Simple widgets and a strong plugin system make it useful and extensible.
ANNOUCEMENT:
Mathbench's purpose is still relevant and could also benefit from the latest improvements of...
MEDDAC is the seeding point for designing a new approach to Operating System design itself. It is an Open Source project with roots in mainframe design and development the author began in 1979. Monitor Editor Disassembler Decompiler Assembler Compiler