pyef.multiwfn_interface

Multiwfn Interface Module

This module provides a clean interface to the Multiwfn external quantum chemistry analysis program for charge partitioning and multipole moment calculations.

Classes

MultiwfnInterface

Main interface class for running Multiwfn calculations

Functions

getmultipoles

Static function to parse multipole moment output files

Classes

MoldenObject(file_path_xyz, molden_filename)	Helper class for parsing molden files to count basis functions.
MultiwfnInterface([config])	Interface class for Multiwfn charge partitioning and multipole calculations.