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Q-Chem data is not always valid #965

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matthewkuner opened this issue Mar 11, 2024 · 0 comments
Open

Q-Chem data is not always valid #965

matthewkuner opened this issue Mar 11, 2024 · 0 comments

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@matthewkuner
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emmet/emmet-core/emmet/core/qchem/task.py

Line 97 in 183d74c

is_valid: bool = Field(

Should someone (who is familiar with Q-Chem) make a validator for Q-Chem data? Emmet currently just lists every Q-Chem file as valid without any logic behind it.
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