Hi all.
I see that many people use the multiwfn tool to analyze electrostatic potential energy surfaces.
However, it is possible to get the ESP values which are located on an isocontour of the electronic density using Psi4 alone? I am trying to calculate parameters based on the electrostatic potential which lies on the rho(r) = 0.001 surface (eg. average positive ESP values on this surface).
I need to do this for many molecules and would like to implement this in python.
Thanks!