Initial atomic spin only set for spin polarised calculations#384
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davidbowler merged 1 commit intodevelopfrom Dec 5, 2024
Merged
Initial atomic spin only set for spin polarised calculations#384davidbowler merged 1 commit intodevelopfrom
davidbowler merged 1 commit intodevelopfrom
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The atomic spin was being read without testing for an overall spin polarised calculation, leading to the initial atomic spin flag being set and a crash. Now fixed.
davidbowler
added
area: main-source
lionelalexandre
approved these changes
Dec 5, 2024
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The atomic spin was being read without testing for an overall spin polarised calculation, leading to the initial atomic spin flag being set and a crash. Now fixed.