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Initial Q-Chem input generator #8

Merged
merged 3 commits into from
Mar 28, 2023
Merged

Initial Q-Chem input generator #8

merged 3 commits into from
Mar 28, 2023

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berquist
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@berquist berquist commented Mar 27, 2023 •
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Closes #3

@RaphaelRobidas RaphaelRobidas marked this pull request as ready for review March 27, 2023 16:59
@RaphaelRobidas
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The code looks good to me, is it ready to merge?

@berquist
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If you're ok with the commented-out tests and stray methods, then it does work.

@RaphaelRobidas
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If you plan on working some more on this PR this week, I will merge it afterwards

@berquist
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I can't guarantee that I'll get to it this week, so maybe it's best to not let it sit. I don't have any uncommitted changes right now.

@RaphaelRobidas RaphaelRobidas merged commit 5e18f47 into cyllab:main Mar 28, 2023
@berquist berquist deleted the qchem branch March 30, 2023 02:49
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Q-Chem input generator
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@berquist @RaphaelRobidas