Handle duplicates and renames in qcvars

MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.

https://molssi.github.io/QCFractal/

BSD 3-Clause "New" or "Revised" License

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Handle duplicates and renames in qcvars #761

Closed bennybp closed 9 months ago

bennybp commented 9 months ago

Description

Handle overlapping qcvars/properties keys, taking into account underscore. Also, remove underscores from names in qcvars.

This is done on the manager, hopefully making the data being returned somewhat smaller. But the main reason is to reduce the storage required on the database side.

Changelog description

Handle duplicates and renames in qcvars

Status

[X] Code base linted
[X] Ready to go

codecov[bot] commented 9 months ago

Codecov Report

Merging #761 (0bdd6a3) into main (e8d9cba) will decrease coverage by 0.03%. The diff coverage is 0.00%.

Additional details and impacted files