Hello, I implemented that feature and I am pretty certain that it was in Version 2022. The older versions also work but then you have to use the `-o` option with an .xml file, I recommend installing the new votca version. Sorry for the inconvience.
Cheers Jens [email protected] schrieb am Mittwoch, 9. März 2022 um 21:16:22 UTC+1: > Dear Votca users, > > I am very new to this application. I am trying to run the xtp tutorials to > get an idea. I am using xtp_tools, version 1.6.2, votca_csg, version > 1.6.2, votca_tools, version 1.6.2. > > However while executing the command for the first tutorial " xtp_tools -c > job_name=methane -t 2 -e dftgwbse > dftgwbse.log" > I get the following error : error parsing command line: unrecognised > option '-c'. > > When I execute the command *xtp_tools -h* I see that *-c* and *-p* is > missing from the list of allowed tools. Is there anything I am missing or > is it just an old version that isn't compatible with the tutorial? Below is > the list of options that I get when *xtp_tools *-h is executed for the > installed version. > > ================================================== > VOTCA (http://www.votca.org) > ================================================== > > please submit bugs to [email protected] > > xtp_tools, version 1.6.2 (compiled Nov 8 2021, 12:22:22) > votca_csg, version 1.6.2 (compiled Nov 8 2021, 11:36:43) > votca_tools, version 1.6.2 (compiled Nov 8 2021, 10:05:51) > Runs excitation/charge transport tools > Allowed options: > -h [ --help ] display this help and exit > --verbose be loud and noisy > --verbose1 be very loud and noisy > -v [ --verbose2 ] be extremly loud and noisy > -o [ --options ] arg calculator options > -t [ --nthreads ] arg (=1) number of threads to create > > Tools: > -e [ --execute ] arg List of tools separated by ',' or ' ' > -l [ --list ] Lists all available tools > -d [ --description ] arg Short description of a tool > ================================================ > > Any help is very much appreciated. I need to sort this out quickly as I > need to use this for a grant application. I sincerely thank you in advance > for time and prompt response. > > Regards > Dr. Debapriya Chaudhuri > Research Fellow > School of Physics > Trinity College Dublin > Dublin 02, Ireland > > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/35025f1d-a28b-4f73-a24e-0df0587345d4n%40googlegroups.com.
