Assorted small cleanups

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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Assorted small cleanups #751

Closed bennybp closed 1 year ago

bennybp commented 1 year ago

Description

Some small cleanup tasks after the release

Regenerate the NEB test data
Add/cleanup documentation to PortalClient and NEB socket
Fix typing in NEB socket
Remove dependence of geometric_nextchain.py on qcportal
Remove unused parsl_adapter.py file
Remove use of non-existent return_result column

Status

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

codecov[bot] commented 1 year ago

Codecov Report

Merging #751 (e67d704) into main (187c5ab) will increase coverage by 0.15%. Report is 3 commits behind head on main. The diff coverage is 0.00%.

Additional details and impacted files