| 3:05:30 PM PDT - Wed, May 22nd 2013 |
|
Hi Jean-Louis,
Thanks, this was an oversight. You can use whatever Fourier transform software you want, but in case you don't have one I've wrote a simple GNU Octave FFT script. I've checked it into the trunk/contrib/parsers directory and also put it up on the wiki: http://nwchemgit.github.io/images/RT_TDDFT_scripts.tgz. The tutorial has been updated as well. The options (exponential damping, zero padding, etc) are hardcoded at the moment so you will have to edit the file (self explanatory) if you want to use these. Let me know if there are any other issues!
-Ken
|