ccwatcher / News: Recent posts

V 1.3.2

Hi everyone,
I finally got round to releasing version 1.3.2 of ccwatcher.
The actual code changes are small; I fixed some small bugs in the setup, file guessing and loading process. Also, I improved the project icons in linux (svg) and windows (proper ico file).
The biggest change is probably is the use of Py2Exe - now the use of ccwatcher is possible on windows systems without the installation of Python, via a standard exe file. If that should for some reason not be possible, you can still use the conventional Python files as before via the win32-dynamic-python27 installer.
Have fun with the new version, and as always, please report problems!

Posted by xaverxn 2014-04-12

V 1.3.1

Hi everyone,
I have been polishing ccwatcher a bit and implemented smaller suggestions from colleagues. The 'best points' dialog now scrollable and copyable and logtabs can be searched for keywords. I also added a 'loading' progress bar, the 'last change time' is now displayed on the status bar, and there's a refresh button for old files.
Hope you enjoy it!

Posted by xaverxn 2013-07-19

V 1.3.0

Hi everyone,
I finally managed to put all the files together. So, here's another 'bigger' release step, bringing you e.g. a graphical setup, more speed parsing large files, improved settings configurability and a better integrated qwt plotter. Plus, you may now simply point ccw to a folderto make it load the most recent file. And as always, bug fixes and more parser keywords...

Posted by xaverxn 2013-02-04

V 1.2.0

Hi everyone,
Version 1.2.0 of ccwatcher is finished! The biggest change is the use of a more modern, interactive plotting system: From now on you can use the Qwt library instead of gnuplot. That first of all means free drag-and-drop zooming and unzooming, but more may come. ccw_setup lets you choose your favourite backend.
Besides that, there are improvements especially in the ADF and Firefly parser, some coloring of parser text output, collection and print of the best SCF energies (for PES scans, mainly), and of course a lot of bugfixes, adaptions and fine-tuning.
As always, I ask you to leave feedback (via guestbook or the new six-questions survey or any other way) - ccwatcher has already over 700 downloads and I hardly know what anyone thinks about it ;-)
So, have fun with 1.2.0, and happy computing!

Posted by xaverxn 2012-11-04

V 1.1.1

Hi comp-chem maniacs,

I was about to release 1.0.1 when I realized it would be so much nicer to have windows (exe/msi) and linux (rpm/deb) packages ready.
To do this I wanted to get rid of the and cclib dependencies. When this was done I compiled 1.1.0 to mark the big transition. And, as it is often the case, I found a few bugs just afterwards..
So, here we are, now I present you: CCWatcher 1.1.1.
It's been quite some work creating the RPM and DEB packages (man, that's harder than coding (python)!) and they're not perfect, also, I could only test the NSIS EXE installer on Windows XP, but I hope some of you profit from this steps anyway. ccwatcher itself has seen a few changes as well, mostly in the Turbomole library, but also fine plotting adaptions... check it out!
Also, let me know what you think and if you have problems via my guestbook on read more

Posted by xaverxn 2012-04-03

V 1.0.0 released

Hi all,

after a long development pause I've finally found the time to work a little bit on ccwatcher again.
In the last months I have implemented Turbomole support, and also basic parsers for ADF, Molpro, Jaguar and NWChem - as I don't use the latter it would be great if someone could provide me with some info and logfiles - drop me a line if interested. The ORCA browser was also improved.
Yet another new zoom mode is now implemented for even more fun: Ultra zoom.
And, as always, bugfixes, adjustments, slight GUI improvements have been made.... read more

Posted by xaverxn 2012-01-21

V 0.9.9 released

a new version of ccwatcher is here!
The last release before 1.0 (well...hopefully) brings you more support for GAMESS(US) and ORCA, a new zoom mode and greatly enhanced multifile handling.
Remember to call after installation!

Posted by xaverxn 2011-05-10

V 0.9.8 released

Hi folks,
it's been a while, but I've finally found some time to hack on ccwatcher again. V098 brings you an improved multifile handling (still no more than two files though, because then it's getting complicated; tell me if you really want more) as well as some ORCA text parsing and, as usual, lots of smaller adjustments.
Also, I'm running out of features that I personally need, some drop me a line if you want something particular to be implemented...
Have fun with it!

Posted by xaverxn 2011-04-01

V 0.9.7 released

Hi all,
no two weeks after 0.9.6, I consider 0.9.7 stable - well, as stable as a beta version gets.
I started implementing multifile parsing for this one, it's not considered done yet but some options are quite usable already - look for the "-m" switch in the doc and the new screenshot on sourceforge.
Also, I gave windows compatibility some love and hope to be able to do so with the Mac OSX compatibility for 0.9.8. As usual, there are also a lot of smaller corrections and adaptions, plus polishing of the doc and readme file.
Have fun,
Xaver... read more

Posted by xaverxn 2010-10-28

V 0.9.6 released

Hi all,
I updated ccwatcher to integrate a few improvements; no big new features yet, so it's more of a maintenace release.
Most notably is probably the System tray icon indicating activity or inactivity. Besides that, I added new keywords, polished the setup and docs a bit, and made the config file comply to standards. There's now also a testfile2.log to test the "force gaussian" mode...
Have fun and let me know what you think!

Posted by xaverxn 2010-10-15

V 0.9.5 released

Hi all,
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.
cclib, so far an "alternate backend", is now a mandatory dependency which handles all the numbers, which integrates non-Gaussian as well as zipped ones and others much more nicely.
Also, I got rid of the dependency to not always having to ship a patched version of it. My own interface is much smaller, but also a little less polished ATM - let's see if I can improve it for later versions.
So, as always, have fun with it and please feedback!

Posted by xaverxn 2010-05-07

Stay patient - a new version is on its way

a lot of time has passed since 0.9.4 because of a lot of work - as I indicated in my last news update. However, I have not been lazy on ccwatcher as all my code commits prove.
I have implemented two "bigger" things in the current trunk, that's why it's taking so long: One is getting rid of (having my own small interface now), and the second one is making cclib a mandatory dependency (yes, that's actually an improvement). Meanwhile I'm mainly doing bugfixing.
I hope to upload 0.9.5 next week, so stay patient ;-)
Regards, Xaver

Posted by xaverxn 2010-04-29

V 0.9.4 released

Hi all,
release cycles getting a little longer because there is much work. This version contains various improvements, most notably on the keywords (system) and a first basic distutils installer.
The to-do-before-v1.0 list is slowly but continuosely shrinking.
Have fun and please report any problems!

Posted by xaverxn 2010-03-16

V 0.9.3 released

Hi everyone,
last night I uploaded V 0.9.3. It includes a GUI settings dialog and lots of detail improvements.
There are 'static' and 'nonstatic' packages again, however they only differ in if they contain 5-MB-gnuplot. This means python 2 and pyqt are in none of these packages (too big) and cclib, a patched version and are included in both.
Have fun and plz report problems or rate the app here if you liked it!
Regards, Xaver

Posted by xaverxn 2010-02-15

Birthday present: V 0.9.2

Hi all,
because yesterday was my birthday, I make you a special present today: the third release of the ccwatcher beta, dubbed V 0.9.2. There are subtle improvements in file loading, a recent files list, automatic QSettings, a svg icon and more, but it's still more of a maintainance release.
The 'static' package now includes cclib and gnuplot which might make things easier for the windows users.
Have fun,

Posted by xaverxn 2010-02-03

First mainainance release: V 0.9.1

Hi all,
this is a revised version of the original beta 0.9 branch. I corrected a lot of win32 issues and a few general ones. Not much functionality was added, so I'd call this a maintainance release.
Also, I uploaded a package that already includes cclib.
Have fun with it!

Posted by xaverxn 2010-01-28

News on win32 version

it seems it wasn't that's broken, it was just not properly set up. Remember to set the path variable in your file.
However, that doesn't improve the situation much, as gnuplot behaves very strangely on windows, so it's still not working. GUI plotting probably will work in a few days but I'm not seeing how cli plotting could ever work on win32.
The rest of the parser seems fine, however.

Posted by xaverxn 2010-01-27

First release

Hello everyone,
this is this is the first release of my first application, dubbed 'ccwatcher'. While there are similar projects (Gausssum, QMForge) mine seems the only one that is able to actually monitor a calculation, i.e. parse(+plot) on runtime.
Please mind that I'm a programming newbie. Any feedback is appreciated however.

ATTENTION: It seems there is a known bug in the MS Windows module of - so under that OS ccwatcher is pretty useless ATM. I'm trying to get a patch or workaround working...

Posted by xaverxn 2010-01-26