Module for reading and writing QSite input files.
See QSiteInput class for more documentation.
Copyright Schrodinger, LLC. All rights reserved.
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__metaclass__
type(object) -> the object's type type(name, bases, dict) ->
a new type
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Cut
A class to handle representation and printing of general qm region
cuts.
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HydrogenCap
A class to handle representation and printing of hydrogen caps for
the qm region.
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_GenDict
A dictionary-like class for getting and setting keywords in the
&gen section of qsite input, which controls the Jaguar portion of
the calculation.
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_MopacDict
A dictionary-like class for getting and setting keywords in the
&mopac section of qsite input, which controls the Jaguar/MOPAC
portion of the calculation.
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QMRegion
A class to provide access to a &qmregion specification and the
ability to create one on the fly.
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QSiteInput
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