ESP Quality of Fit

[eva-not]

Hi,

I am looking into assessing the quality of fit of the calculated ESP to the QM ESP. Is there a way to obtain the calculated ESP (eq. 1 in https://pubs.acs.org/doi/abs/10.1021/j100142a004) and/or the RRMS (eq. 15 in the same paper)?

It seems that the psiresp.job.Job and psiresp.molecule.Molecule classes only contain the calculated charges.