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Public Member Functions | Public Attributes

cclib::method::fragments::FragmentAnalysis Class Reference

Inheritance diagram for cclib::method::fragments::FragmentAnalysis:
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List of all members.

Public Member Functions

def __init__
def __repr__
def __str__
def calculate

Public Attributes

 data
 fonames
 fooverlaps
 fooverlaps2
 homos
 logger
 loglevel
 logname
 mocoeffs
 nbasis
 parsed
 progress

Detailed Description

Convert a molecule's basis functions from atomic-based to fragment MO-based

Definition at line 16 of file fragments.py.


The documentation for this class was generated from the following file:

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