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Maxexcit in NECI doesn't take into account when reference determinant changes #5

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ndattani opened this issue Mar 9, 2019 · 0 comments

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@ndattani
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ndattani commented Mar 9, 2019

In this: /algpfs/dattani/femoco/DLA76/mneci/limitExcittations/c
We have 15-level excitations. How did that happen when maxexcit was 6? Probably because the reference determinant changed! If we really want to limit the excitations from the original reference, we need to treat maxexcit as excitations from a specified determinant, so that it remains consistent when the ref det changes.

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