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Add support for removing virtual orbitals in ADF calculations #156

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YHordijk opened this issue Mar 12, 2024 · 0 comments · Fixed by #165
Closed

Add support for removing virtual orbitals in ADF calculations #156

YHordijk opened this issue Mar 12, 2024 · 0 comments · Fixed by #165
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enhancement New feature or request

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@YHordijk
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It would be nice to have an easy way to remove virtuals from orbitals, for example in a fragment calculation. The program could also detect the number of orbitals to remove from the fragments so that we can simply remove all virtuals.
@YHordijk YHordijk added the enhancement New feature or request label Mar 12, 2024
@YHordijk YHordijk self-assigned this Mar 12, 2024
@YHordijk YHordijk linked a pull request Mar 12, 2024 that will close this issue
156 add support for removing virtual orbitals in adf calculations #165
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156 add support for removing virtual orbitals in adf calculations TheoChem-VU/TCutility
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