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Csse pyd2 502 #345

Merged
merged 4 commits into from
Sep 4, 2024
Merged

Csse pyd2 502 #345

merged 4 commits into from
Sep 4, 2024

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loriab
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@loriab loriab commented Sep 3, 2024

Description

Changelog description

Status

  • Code base linted
  • Ready to go

@loriab
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loriab commented Sep 3, 2024

As one can't request a review by the usual means outside the MolSSI GH org, here's a ping instead, @davidbrownell, @krachwal, @rfievet, @ketanbj, @varun646, @jyoung3131

@@ -62,7 +62,7 @@ database.

>>> mol = qcel.models.Molecule(**{"symbols": ["He", "He"], "geometry": [0, 0, -3, 0, 0, 3]})
>>> mol.get_hash()
'84872f975d19aafa62b188b40fbadaf26a3b1f84'
'84872f975d19aafa62b188b40fbadaf26a3b1f84' # pragma: allowlist secret

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Is this a secret or a hash? Consider changing the comment if necessary.

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It's a hash, but I'm not seeing any flexibility in the signaling syntax to describe it more accurately. https://github.com/Yelp/detect-secrets/blob/master/README.md#inline-allowlisting

@loriab loriab merged commit dcfcfba into MolSSI:next2024 Sep 4, 2024
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@loriab loriab deleted the csse_pyd2_502 branch September 4, 2024 14:41
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2 participants