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Public Member Functions | Public Attributes

cclib::parser::gamessukparser::GAMESSUK Class Reference

Inheritance diagram for cclib::parser::gamessukparser::GAMESSUK:
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Collaboration diagram for cclib::parser::gamessukparser::GAMESSUK:
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List of all members.

Public Member Functions

def __init__
def __repr__
def __setattr__
def __str__
def before_parsing
def extract
def float
def normalisesym
def parse
def updateprogress

Public Attributes

 aonames
 aooverlaps
 atombasis
 atomcoords
 atomnos
 betamocoeffs
 betamoenergies
 betamosyms
 charge
 coreelectrons
 cupdate
 datatype
 filename
 firstnuccoords
 fupdate
 gbasis
 geotargets
 geovalues
 homos
 isstream
 logger
 loglevel
 logname
 mocoeffs
 moenergies
 eigenvalues ########### This section appears once at the start of a geo-opt and once at the end unless IPRINT SCF is used (when it appears at every step in addition)
 mosyms
 mosysms
 mp2correction
 mp2energy
 mp3correction
 mp3energy
 mpenergies
 mult
 natom
 nbasis
 nmo
 progress
 scfenergies
 scftarget
 scftargets
 scftype
 scfvalues
 stream
 table
 vibdisps
 vibfreqs
 vibirs
 vibramans

Detailed Description

A GAMESS UK log file

Definition at line 17 of file gamessukparser.py.


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

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