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Calculate number of electrons before restart #638

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merged 1 commit into from
May 24, 2022

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@awvwgk awvwgk commented May 24, 2022

Closes #627

@awvwgk awvwgk added the bug Something isn't working label May 24, 2022
@awvwgk awvwgk added this to the v6.5.1 milestone May 24, 2022
@awvwgk awvwgk merged commit 755c846 into grimme-lab:main May 24, 2022
@awvwgk awvwgk deleted the nel-restart branch May 24, 2022 21:11
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Restart file does not record number of electrons
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