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@alongd alongd commented Oct 27, 2025

To allow Arkane to process (and differentiate between) singlet and triplet forms of the same structure.
See ReactionMechanismGenerator/RMG-Py#2854

@alongd alongd force-pushed the arkane_spc_mult_input branch from 5fad50b to b0c7a36 Compare December 3, 2025 06:31
@alongd alongd force-pushed the arkane_spc_mult_input branch 2 times, most recently from f7fce02 to e55dd26 Compare December 30, 2025 20:19
@alongd alongd requested a review from JintaoWu98 December 31, 2025 06:12
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LGTM! Thanks

@alongd alongd force-pushed the arkane_spc_mult_input branch from e55dd26 to de59ea5 Compare December 31, 2025 08:37
to allow it to process (and differentiate between) singlet and triplet forms of the same structure, see RMG-Py PR #2854
@alongd alongd force-pushed the arkane_spc_mult_input branch from de59ea5 to 470debc Compare December 31, 2025 15:06
@alongd alongd merged commit 1039e88 into main Dec 31, 2025
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@alongd alongd deleted the arkane_spc_mult_input branch December 31, 2025 17:18
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3 participants