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An atomic or molecular electronic properties computational package
...The package is completely modular, allowing control over ordering of most steps within the limitations imposed by the theory. Flow is controled completely by tcsh shellscripts, many of which are provided in the package.
Users may devise their own scripts, of course.
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...