nutjunkie / IQmol

IQmol is an open source molecular editor and visualization package
GNU General Public License v3.0
99 stars 47 forks source link

add checkboxes for libwfa for CIS, ADC, EOM-CC #44

Open felixplasser opened 3 years ago

felixplasser commented 3 years ago

Hello, I added some checkboxes for our libwfa functionality (state_analysis keyword). Is it enough to just add the appropriate items the .ui files?

Is it ok to put this into the main panel or should I only put it into "Advanced"? I think this is a functionality that quite a few people are using.

Cheers -Felix