Warn user if optimising cell and ions with cell constraints#383
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davidbowler merged 1 commit intodevelopfrom Dec 5, 2024
Merged
Warn user if optimising cell and ions with cell constraints#383davidbowler merged 1 commit intodevelopfrom
davidbowler merged 1 commit intodevelopfrom
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Constraints are not applied in this case; warning now printed
davidbowler
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area: main-source
lionelalexandre
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Dec 5, 2024
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Constraints are not applied in this case (OptCellMethod 3); warning now printed