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materialsproject / pymatgen Public

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Fix IndexError when parsing Hessian from Gaussian frequency job#3308

Merged

janosh merged 3 commits intomastermaterialsproject/pymatgen:masterfrom fix-gh-3306materialsproject/pymatgen:fix-gh-3306Copy head branch name to clipboard

Sep 10, 2023

+90-77

Conversation Commits3 (3)Checks Files changed

Commits

Commits on Sep 10, 2023

add _parse_hessian method to GaussianOutput
janosh
committed
snake_case vars
janosh
committed
fix typo in test name: paramaters->parameters
janosh
committed

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