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Fix IndexError when parsing Hessian from Gaussian frequency job #3308

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merged 3 commits into from
Sep 10, 2023

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@janosh janosh commented Sep 10, 2023

Closes #3306.

013a1da add _parse_hessian method to GaussianOutput
5503149 snake_case vars
35c952e fix typo in test name: paramaters->parameters

@janosh janosh added io Input/output functionality fix Bug fix PRs labels Sep 10, 2023
@janosh janosh enabled auto-merge (squash) September 10, 2023 06:37
@janosh janosh merged commit 872fa4a into master Sep 10, 2023
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@janosh janosh deleted the fix-gh-3306 branch September 10, 2023 06:52
janosh added a commit that referenced this pull request Sep 14, 2023
* add _parse_hessian method to GaussianOutput

* snake_case vars

* fix typo in test name: paramaters->parameters
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[Bug]: Error parsing GaussianOutput from frequency job with g09
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