An issue about .out file plot of QMMM

[aw10279]

Hello，thank you for this wonderful job! But when I use the new version to plot the .out file of QMMM level scan from ORCA6.0, I got this error:
An error was encountered when trying extracting energies from scan.out: could not convert string to float: '(MM)'

I guess this tool may not be able to solve a QMMM level output, or there is something else I don't know. Please help me, thank you again!

[ChristianIeritano]

Hi aw10279.

Many thanks for using PodPals and your feedback, and apologies for not getting to this sooner. I wish I had more time for coding. Can you upload the QMMM .out file and I can troubleshoot? I personally haven't run these calculations so I'll likely need to add a condition to check for these types of calcs and change the plotting structure accordingly.

[ChristianIeritano]

Hi aw10279.

I haven't gotten a response, so I will move this over to discussions.