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Initialize number of electrons in SP calculation #525

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Merged
merged 1 commit into from
Oct 21, 2021
Merged

Initialize number of electrons in SP calculation #525

merged 1 commit into from
Oct 21, 2021

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@awvwgk awvwgk commented Oct 21, 2021

Refactoring to reduce complications with uninitialized number of electrons in xTB calculations

@awvwgk awvwgk merged commit bcfeb86 into grimme-lab:master Oct 21, 2021
@awvwgk awvwgk deleted the nel-init branch October 21, 2021 12:12
@awvwgk awvwgk added this to the v6.5.0 milestone Apr 13, 2022
@haneug haneug mentioned this pull request Apr 4, 2023
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