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MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).
https://molssi.github.io/QCEngine/
BSD 3-Clause "New" or "Revised" License
162 stars 78 forks source link

nwchem: collect scf dipole #413

Open loriab opened 11 months ago

loriab commented 11 months ago

Description

This probably works, but needs some self-contained tests. Opening PR so I don't lose it.

Changelog description

Status

codecov[bot] commented 11 months ago

Codecov Report

Merging #413 (1361b06) into master (d18cfda) will decrease coverage by 10.62%. The diff coverage is 0.00%.

Additional details and impacted files