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專案描述

ccwatcher monitors the progress of computational chemistry calculations as they run. It has both a GUI and a command line interface to which it parses important output and plots SCF energies. It supports most computational chemistry programs via cclib.

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2010-03-18 00:23
0.9.4

This version contains various improvements, most notably on the keywords and a basic distutils installer. Better x rescaling for scale mode 5 was implemented. Several bugs were removed. The Win32 plotting was fixed again. Some work was done on resource location and the installer. Rewriting of resource location links was begun. The file system was reordered and cleaned out. The settings system was polished, especially keyword handling. New keywords and smaller adjustments were added. A setup.py install routine was added. Further small corrections were made.
標籤: Maintenance

2010-02-16 03:45
0.9.3

A GUI settings dialog has been added and there are a lot of detail improvements. There are 'static' and 'nonstatic' packages again, however they only differ in if they contain 5-MB-gnuplot, so cclib, a patched gnuplot.py version and which.py are included but python 2 and pyqt are not.

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