Is it possible to direct the results of a one-electron property call to a new variable?
For example, after running
E, WFN = psi4.energy(“M06-2x/6-311+G(d,p)”, return_wfn=True)
I can do a direct output to my screen using OEPROP:
However, I cannot save this to any new variable:
XXX var = psi4.oeprop(WFN, ‘MULLIKEN_CHARGES’) XXX
Is it possible to do this with the ‘properties’ function, or is there some other set of commands needed to move the properties to a format like a ‘list’ or ‘numpy array’ that could be printed (preferably as ASCII format text) for use in other programs outside of the Python paradigm?