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  • Home > Linux > Science

    ccwatcher 1.2.0

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    Category:
    Xaver Wurzenberger | More programs
    GPL / FREE
    November 5th, 2012, 14:55 GMT [view history]
    ROOT / Science

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    ccwatcher description

    Monitors the progress of computational chemistry calculations

    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 ]

    · More interactive plotting system (qwt library)
    · Colored text and best-SCF-energies collection.
    · Better ADF and Firefly support.

      


    TAGS:

    chemistry calculations | computational calculations | progress monitoring | chemistry | calculations | monitoring

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