Our new paper “libwfa: Wavefunction analysis tools for excited and open-shell electronic states” was just published in WiRES Comp. Mol. Sci. The libwfa library provides a variety of visual and qunantitative analysis tools to post-process excited-state computations performed within Q-Chem and OpenMolcas.
You can find the libwfa functionality in the Q-Chem documentation under General Excited-State Analysis. To activate libwfa in Q-Chem, use
state_analysis = true
In OpenMolcas use the WFA module, activated via