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Exciting parser species file - #273
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VonaCecilia wants to merge 43 commits into
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VonaCecilia wants to merge 43 commits into
VonaCecilia wants to merge 43 commits into
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add_mapping_annotation(..., m_def=X) stored X in Section.more['mapper_m_def'] — unkeyed state on a definition shared by every parser. The mapping parser pops that slot for whichever parser builds its mapper first and discards that parser's own polymorphic annotations: importing the orca schema package was enough to strip KSpace/SelfConsistency from any FHI-aims parse in a full-plugin process (nomad parse, Oasis), with parse-order-dependent results. The slot is redundant: the helper already re-targets the keyed annotation onto the m_def subclass, which the polymorphic scan resolves under the parser's own key. Verified orca DLPNO output unchanged and FHI-aims KSpace restored regardless of import order.
…y (e.g. 'PBE', 'PBE0', 'B3LYP', 'SCAN+rVV10')
…understand if n_point should be the total one or the reduced one.
…rlization, k_mesh, smearing, spin_polarized
…basis set, atomic states, model system
…ntainer, model_system, smearing, kmesh, is_spin_polarized)
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