MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).
https://molssi.github.io/QCEngine/
BSD 3-Clause "New" or "Revised" License
163 stars 79 forks source link

variety of consistency work #310

Closed loriab closed 2 years ago

loriab commented 3 years ago

This supersedes #304 and will be split into multiple PRs for review:

Description

Changelog description

Status

codecov[bot] commented 3 years ago

Codecov Report

Merging #310 (02391e5) into master (d9541d6) will decrease coverage by 34.90%. The diff coverage is 21.60%.

lgtm-com[bot] commented 3 years ago

This pull request introduces 1 alert when merging 2705d72b380ddcdfaec3f33dc169a6a25287efac into 843c0b7a9486dc5437a65fb7b65cd0f06adef968 - view on LGTM.com

new alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 1 alert and fixes 7 when merging df94cfb0534feb42150bba6bd5e460fe7aaafc7b into 675c52679df515fe4d1bead8008fb4a28c99f741 - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 1 alert and fixes 2 when merging 02391e5ce79a8050e39e43714d4d66cad38ce0e1 into d9541d641ca5737be0a84c2f29520b72e58a727d - view on LGTM.com

new alerts:

fixed alerts:

lgtm-com[bot] commented 3 years ago

This pull request introduces 1 alert and fixes 2 when merging 02391e5ce79a8050e39e43714d4d66cad38ce0e1 into d9541d641ca5737be0a84c2f29520b72e58a727d - view on LGTM.com

new alerts:

fixed alerts:

loriab commented 2 years ago

closed now that contents covered by other PRs