OECoulombicAtomPotentials

OECoulombicAtomPotentials(mol: Union[OEGraphMol,OEMol,OEQMol],
                          D: float, apot: OEFloatArray) -> bool

Calculates the Coulombic atom potentials with the dielectric constant D and fills the float array apot with the values. apot should be of length N, where N is the number of atoms. The molecule must have 3D coordinates and partial charges assigned.