l0opt error

[JonasKBI]

Hello grimme-lab,

I highly use and appreciate the programs and packages you developed and provide. Especially, the crenso and crest_combi scripts are useful.
However, recently I encountered an issue while using the l0 and l0opt keywords of crenso. The output (attached) furnished the following error during the censo part:

censo: error: argument -part1/--part1: invalid choice: '' (choose from 'on', 'off')

I also attached my submission script to rule out any mistakes there. Maybe it's due to some of my settings of crenso but as far as I understand crenso correctly invoking the single parts of censo is handled by the crenso script without further settings needed.

Thanks for the tools and your help.

error.zip

[fabothch]

Hi,
should be fixed with the latest update. The information of "p1=on" was missing for pka calculations.
Thanks for reporting the error!

Best,

Fabian