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  • Last update: 3 years ago
  • Total downloads: 8
  • Operating system: WinXP, Win Vista, Windows 7, Windows XP X64, Windows Vista64, Windows 7 x64, Windows 8, Windows 8 x64
  • Publisher: Xaver Wurzenberger (2 other programs)
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windows default iconccwatcher for Windows Publisher's description

A computational chemistry monitoring, parsing and plotting application.

ccwatcher monitors the progress of computational chemistry calculations during their runtime. It parses important output and plots SCF energies. ccwatcher is platform-independent thanks to Python and the Qt Toolkit.

Features are:

- Supports most 'big' computational chemistry programs

- Qt GUI and CLI interface

- Platform independent

- Interactive parsing, plotting and updating of logfile info

- Energies plotting via Qwt (free zooming) or Gnuplot (command-line plotting, PNG export)

- Supports multi-file load and comparison

ccwatcher currently supports Gaussian, ORCA, Turbomole, Molpro, GAMESS(US), NWChem, Jaguar, Firefly (Ex-PCGAMESS) and ADF. Check out the screenshots gallery for some visual impressions.

Please mind that ccwatcher is still in a (late) beta state, and, more serious ;-), I'm a self-taught amateur programmer. Nonetheless, any feedback is appreciated!

What's New in This Release:

- 'Best points' dialog now scrollable and copyable
- Added a 'Loading...' progress bar
- Added 'last change time' display on status bar
- Added a refresh button.
- Implemented a 'Search'/'Find' system for the logtabs.

System Requirements:

- Python
- PyQt4
- gnuplot
Program Release Status: Minor Update
Program Install Support: Install and Uninstall

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