Project Release Information
Turbomole support has been implemented, as well as basic parsers for ADF, Molpro, Jaguar, and NWChem. The ORCA parser was also improved.
Yet another new zoom mode is now implemented for even more fun: Ultra zoom. As always, bugfixes, adjustments, and slight GUI improvements have been made.
Multi-file parsing has been improved. ORCA text parsing has been added. There are several smaller fixes and adjustments.
The first implementation of multifile parsing was added. Some work was done on Win32 compatibility. The documentation and readme were revised. Lots of small adaptions and corrections were made.
A system tray icon indicating activity or inactivity. New keywords. The setup and docs have been polished a bit. The config file now complies to freedesktop.org standards. "Testfile2.log" has been integrated to test the "force gaussian" mode.
Hi, finally, I finished V 0.9.5. Due to some severe changes (mainly in the background), this version might not be as stable as 0.9.4, but I think I got rid of most critical errors:
There are major backend changes that may affect the stability of this release. To integrate non-Gaussian as well as zipped ones and others more nicely, cclib is now a mandatory dependence. The Gnuplot.py dependency has been removed.
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.(This Description is auto-translated)