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[adsorbml] custom adsorbate support#1822

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mshuaibii merged 2 commits intomainfrom
adsorbml_custom_adsorbate
Feb 25, 2026
Merged

[adsorbml] custom adsorbate support#1822
mshuaibii merged 2 commits intomainfrom
adsorbml_custom_adsorbate

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resolves #1821 to support custom adsorbates. Also provides the option to feed in your own gas reference in the scenario you want something beyond OC20.

@mshuaibii mshuaibii added enhancement New feature or request minor Minor version release labels Feb 25, 2026
@mshuaibii mshuaibii marked this pull request as ready for review February 25, 2026 20:40
@meta-cla meta-cla Bot added the cla signed label Feb 25, 2026
@mshuaibii mshuaibii requested review from misko and rayg1234 February 25, 2026 20:42
@mshuaibii mshuaibii requested a review from lbluque February 25, 2026 21:57
@mshuaibii mshuaibii enabled auto-merge February 25, 2026 22:07
@mshuaibii mshuaibii added this pull request to the merge queue Feb 25, 2026
Merged via the queue into main with commit bda4f4a Feb 25, 2026
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@mshuaibii mshuaibii deleted the adsorbml_custom_adsorbate branch February 25, 2026 22:56
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Issue using AdsorbML with ASE Atoms adsorbate

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