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hipart's Introduction

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 Zeobuilder can be found on the CMM Software website:
http://molmod.ugent.be/software/

Zeobuilder is distributed as open source software under the conditions of the GPL
license version 3.  Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/

hipart's People

Contributors

tovrstra avatar

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