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

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....

Instantiation

__init__(...)

Class Variables

To be documented

Instance Variables

To be documented

Methods

To be documented