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Feature/general pdos #190
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Feature/general pdos #190
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We need to allow a fragment to be an imported structure (e.g. from AiiDA database or ..). The fragment visualization should show the guessed constraints / spin guesses / .. and allow to modify them. |
Contains also #189
This allows PDOS between two structures where the "molecule" part is not fully contained in the "full system part".
We should decide whether to integrate it in PDOS or to keep it separate.