opan.vpt2.repo¶
Sub-module for HDF5 repo interactions for VPT2 anharmonic calculations.
Warning
Module is under active development. API &c. may change with little notice.
Classes
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class
opan.vpt2.repo.
OpanAnharmRepo
(fname=None)¶ HDF5 repo interface for VPT2 anharmonic calculations.
Operations here DO NOT ensure consistency with the surrounding data. Such consistency must be checked/handled at a higher level. This is just a wrapper class to facilitate I/O interactions!
Currently no chunking or any filters are used. May or may not be worth robustification. Things stored are not likely to be huge….
Todo
Main docstring for OpanAnharmRepo (renamed to VPT2…)
Instantiation
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__init__
(...)¶ Todo
REPO.__init__ docstring
Class Variables
To be documented
Instance Variables
To be documented
Methods
To be documented
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