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fix fukui and migrate to vertical.f90 #799

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Merged
merged 4 commits into from
Apr 11, 2023
Merged

fix fukui and migrate to vertical.f90 #799

merged 4 commits into from
Apr 11, 2023

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haneug
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@haneug haneug commented Apr 5, 2023 •
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ToDo:

  • add test for vfukui

@haneug haneug requested a review from Albkat April 5, 2023 07:55
@haneug haneug added the bug Something isn't working label Apr 5, 2023
@haneug haneug linked an issue Apr 5, 2023 that may be closed by this pull request
Differences in Fukui Functions Between xtb version 6.5.1 and xtb version 6.4.1 #794
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haneug added 2 commits April 5, 2023 17:27
@haneug
adding initial test
f501ead
@haneug
Added test for Fukui with GFN1-xTB
3c60e0f 
Signed-off-by: haneug <hagen@thch.uni-bonn.de>
@haneug haneug requested a review from MtoLStoN April 6, 2023 06:52
@haneug haneug marked this pull request as ready for review April 6, 2023 06:59
@haneug haneug requested a review from cplett April 11, 2023 11:02
@haneug haneug merged commit 15be284 into grimme-lab:main Apr 11, 2023
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@cplett cplett cplett approved these changes

@Albkat Albkat Awaiting requested review from Albkat

@MtoLStoN MtoLStoN Awaiting requested review from MtoLStoN

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Differences in Fukui Functions Between xtb version 6.5.1 and xtb version 6.4.1
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@haneug @cplett