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Revert calculation of GFN-FF topological charges #520

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Merged
merged 1 commit into from
Oct 12, 2021
Merged

Revert calculation of GFN-FF topological charges #520

merged 1 commit into from
Oct 12, 2021

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@awvwgk awvwgk commented Oct 12, 2021

Revert #462

@awvwgk awvwgk requested a review from sespic October 12, 2021 07:51
@awvwgk awvwgk linked an issue Oct 12, 2021 that may be closed by this pull request
GFNFF Geometry Optimization Fails and Shows Erratic Behavior for Sulfonamide #519
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@awvwgk awvwgk merged commit d21c652 into grimme-lab:master Oct 12, 2021
@awvwgk awvwgk deleted the revert-462 branch October 12, 2021 08:01
@awvwgk awvwgk added this to the v6.5.0 milestone Apr 13, 2022
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GFNFF Geometry Optimization Fails and Shows Erratic Behavior for Sulfonamide
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