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Compute thermo #140

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Compute thermo #140

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@alongd alongd commented Oct 4, 2023

Check whether to compute thermo before appending species to self.qm to avoid computing thermo for species that participate in a reaction and must be sent to ARC, but they are well known from libraries, e.g., OH

alongd added 2 commits May 2, 2024 14:54
to avoid computing thermo for species that participate in a reaction and must be sent to ARC, but they are well known from libraries, e.g., OH
@alongd alongd force-pushed the compute_thermo branch from 594a086 to ab15992 Compare May 2, 2024 11:56
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