This repository is archived. For a more up-to-date implementation, see https://github.com/theochem/denspart

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HiPart is a program to analyze the electronic structure of molecules with
fuzzy-atom partitioning methods. It now supports four schemes to define atomic
partitions: the Becke scheme, The Hirshfeld scheme, the Iterative Hirshfeld
scheme, and the Iterative Stockholder Analysis. Within each scheme the following
quantities can be computed: atomic charges, atomic dipoles, quality of charges
and dipoles with respect to the ESP, the atomic multipole expansion, net and
overlap populations, bond orders and spin charges.


More information about HiPart can be found on the CMM Software website:
http://molmod.ugent.be/software/