ccwatcher is an application that monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a Command Line Interface" to which it parses important output and plots SCF energies. Avogadro plugin capability is planned.
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Here are some key features of "ccwatcher":
· Supports most comp. chem. programs via cclib
· Qt GUI and CLI interface
· Platform independent
Requirements:
· Qt
What's New in This Release: [ read full changelog ]
· Several turbomole parsing improvements.
· New plot modes 9 and 10 for watching recent points.
· Removed cclib and which.py dependencies.
· Lots of stuff related to packaging and installing.
· Many usability adaptions and bug fixes.
· Introduction of a internal (unittest) test system.
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