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Fixing QCG chrg and uhf bug #401

Merged
merged 1 commit into from
Feb 14, 2025
Merged

Fixing QCG chrg and uhf bug #401

merged 1 commit into from
Feb 14, 2025

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cplett
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@cplett cplett commented Feb 7, 2025

The charges and the number of unpaired electrons were not set correctly for the cluster growth. This issue is fixed with this commit.

@pprcht pprcht merged commit 53290da into crest-lab:master Feb 14, 2025
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2 participants