[cclib-devel] Patch for extraction of scan data from gaussian output files

[Edward H. <hol...@ca...>]

Hi All,

I've finally had some free time (read: I didn't want to write my thesis) to write the patch for extracting data from rigid scans in gaussian. I attach the patch, as you can see its fairly simple and I hope it fits with the coding style. If you have any questions please get in touch.

I've also been writing some code to extract data from IRC calculations in gaussian so if people are interested i could write another patch some time.

Yours

Ed Holland