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156 add support for removing virtual orbitals in adf calculations #165

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YHordijk
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Added a method for removing virtuals a priori

@YHordijk YHordijk self-assigned this Mar 12, 2024
@YHordijk YHordijk linked an issue Mar 12, 2024 that may be closed by this pull request
@YHordijk YHordijk requested a review from SiebeLeDe March 12, 2024 15:21
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Looks good, needs to raise an error when frozen core is not None

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@SEBeutick SEBeutick left a comment

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This looks good

@SEBeutick SEBeutick merged commit efae7e0 into main Mar 12, 2024
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@YHordijk YHordijk deleted the 156-add-support-for-removing-virtual-orbitals-in-adf-calculations branch March 14, 2024 21:00
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Add support for removing virtual orbitals in ADF calculations
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